Molecule Details
InChIKeyJOOXLOJCABQBSG-UHFFFAOYSA-N
Compound NameFedratinib
Canonical SMILESCc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)139
Pfam Stratification Cross-Family
Avg pChEMBL6.68
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12500
Drug NameFedratinib
CAS Number936091-26-8
Groups approved investigational
ATC Codes G01AE10 L01EJ02
DescriptionFedratinib, also known as SAR302503 and TG101348, is a tyrosine kinase inhibitor used to treat intermediate-2 and high risk primary and secondary myelofibrosis.[A183176,L8090] It is an anilinopyrimidine derivative.[A183188] Fedratinib was granted FDA approval on August 16, 2019.[L8090]

Categories: Amides Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Benzene Derivatives Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Janus Kinase Inhibitor Kinase Inhibitor MATE 1 Inhibitors MATE 2 Inhibitors MATE inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Protein Kinase Inhibitors Sulfonamides Sulfones Sulfur Compounds Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 50332294 ChEBI: 91408 CHEMBL1287853 ChemSpider: 17626393 Drugs Product Database (DPD): 23489 PDB: 2TA PharmGKB: PA166280361 PubChem:16722836 PubChem:347828733 RxCUI: 2197490 Wikipedia: Fedratinib ZINC: ZINC000019862646
Target Activities (139)
Target Gene Organism Category Pfam pChEMBL Type Source
O14976 GAK Homo sapiens Human PF00069 PF10409 9.0 Kd ChEMBL;BindingDB
O43293 DAPK3 Homo sapiens Human PF00069 8.9 Kd ChEMBL;BindingDB
O60674 JAK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 8.5 IC50 ChEMBL;BindingDB
O75716 STK16 Homo sapiens Human PF00069 8.2 Kd ChEMBL;BindingDB
Q9C098 DCLK3 Homo sapiens Human PF00069 7.9 Kd ChEMBL;BindingDB
P36888 FLT3 Homo sapiens Human PF00047 PF07714 7.8 Kd ChEMBL;BindingDB
P53355 DAPK1 Homo sapiens Human PF00023 PF12796 PF13637 PF00531 PF00069 7.8 Kd ChEMBL;BindingDB
Q56UN5 MAP3K19 Homo sapiens Human PF00069 7.7 Kd ChEMBL;BindingDB
P23458 JAK1 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 7.7 IC50 ChEMBL;BindingDB
Q9UIK4 DAPK2 Homo sapiens Human PF00069 7.5 Kd ChEMBL;BindingDB
Q9NSY1 BMP2K Homo sapiens Human PF15282 PF00069 7.5 Kd ChEMBL;BindingDB
O60285 NUAK1 Homo sapiens Human PF00069 7.5 Kd ChEMBL;BindingDB
Q2M2I8 AAK1 Homo sapiens Human PF00069 7.5 Kd ChEMBL;BindingDB
P06241 FYN Homo sapiens Human PF07714 PF00017 PF00018 7.4 Kd ChEMBL;BindingDB
P57059 SIK1 Homo sapiens Human PF00069 PF23312 7.4 Kd ChEMBL;BindingDB
Q05397 PTK2 Homo sapiens Human PF21477 PF00373 PF18038 PF03623 PF07714 7.4 Kd ChEMBL;BindingDB
O94768 STK17B Homo sapiens Human PF00069 7.3 Kd ChEMBL;BindingDB
P09619 PDGFRB Homo sapiens Human PF00047 PF13927 PF25305 PF07714 7.3 Kd ChEMBL;BindingDB
Q9H093 NUAK2 Homo sapiens Human PF00069 7.3 Kd ChEMBL;BindingDB
P00519 ABL1 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 7.2 Kd ChEMBL;BindingDB
Q07912 TNK2 Homo sapiens Human PF09027 PF11555 PF07714 PF22931 PF14604 7.2 Kd ChEMBL;BindingDB
Q13164 MAPK7 Homo sapiens Human PF00069 7.2 Kd ChEMBL;BindingDB
Q99755 PIP5K1A Homo sapiens Human PF01504 7.2 Kd ChEMBL;BindingDB
P06239 LCK Homo sapiens Human PF07714 PF00017 PF00018 7.1 Kd ChEMBL;BindingDB
P07949 RET Homo sapiens Human PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 7.1 Kd ChEMBL;BindingDB
P12931 SRC Homo sapiens Human PF07714 PF00017 PF00018 7.1 Kd ChEMBL;BindingDB
Q8IYT8 ULK2 Homo sapiens Human PF12063 PF21127 PF00069 7.1 Kd ChEMBL;BindingDB
P09769 FGR Homo sapiens Human PF07714 PF00017 PF00018 7.1 Kd ChEMBL;BindingDB
O14730 RIOK3 Homo sapiens Human PF01163 7.0 Kd ChEMBL;BindingDB
Q9UHD2 TBK1 Homo sapiens Human PF00069 PF18394 PF18396 7.0 Kd ChEMBL;BindingDB
O00444 PLK4 Homo sapiens Human PF00069 PF18190 PF18409 7.0 Kd ChEMBL;BindingDB
Q9H0K1 SIK2 Homo sapiens Human PF00069 PF23312 7.0 Kd ChEMBL;BindingDB
P78362 SRPK2 Homo sapiens Human PF00069 7.0 Kd ChEMBL;BindingDB
Q9BRS2 RIOK1 Homo sapiens Human PF01163 7.0 Kd ChEMBL;BindingDB
Q9P2K8 EIF2AK4 Homo sapiens Human PF12745 PF00069 PF05773 PF13393 7.0 Kd ChEMBL;BindingDB
P07947 YES1 Homo sapiens Human PF07714 PF00017 PF00018 6.9 Kd ChEMBL;BindingDB
P19784 CSNK2A2 Homo sapiens Human PF00069 6.9 Kd ChEMBL;BindingDB
P50613 CDK7 Homo sapiens Human PF00069 6.9 Kd ChEMBL;BindingDB
Q9HC98 NEK6 Homo sapiens Human PF00069 6.9 Kd ChEMBL;BindingDB
Q9Y616 IRAK3 Homo sapiens Human PF00531 PF00069 6.9 Kd ChEMBL;BindingDB
P10721 KIT Homo sapiens Human PF00047 PF07714 6.9 Kd ChEMBL;BindingDB
Q86YV6 MYLK4 Homo sapiens Human PF00069 6.9 Kd ChEMBL;BindingDB
O14578 CIT Homo sapiens Human PF00780 PF00169 PF00069 PF00433 6.8 Kd ChEMBL;BindingDB
O75676 RPS6KA4 Homo sapiens Human PF00069 PF00433 6.8 Kd ChEMBL;BindingDB
Q04771 ACVR1 Homo sapiens Human PF01064 PF07714 PF08515 6.8 Kd ChEMBL;BindingDB
Q8TD19 NEK9 Homo sapiens Human PF00069 PF25390 6.8 Kd ChEMBL;BindingDB
P30530 AXL Homo sapiens Human PF00041 PF13927 PF07714 6.8 Kd ChEMBL;BindingDB
P78356 PIP4K2B Homo sapiens Human PF01504 6.8 Kd ChEMBL;BindingDB
Q8TDX7 NEK7 Homo sapiens Human PF00069 6.8 Kd ChEMBL;BindingDB
Q96SB4 SRPK1 Homo sapiens Human PF00069 6.8 Kd ChEMBL;BindingDB
P32298 GRK4 Homo sapiens Human PF00069 PF00615 6.8 Kd ChEMBL;BindingDB
Q9UPE1 SRPK3 Homo sapiens Human PF00069 6.8 Kd ChEMBL;BindingDB
O15075 DCLK1 Homo sapiens Human PF03607 PF00069 6.7 Kd ChEMBL;BindingDB
P42685 FRK Homo sapiens Human PF07714 PF00017 PF00018 6.7 Kd ChEMBL;BindingDB
P53779 MAPK10 Homo sapiens Human PF00069 6.7 Kd ChEMBL;BindingDB
P51617 IRAK1 Homo sapiens Human PF00531 PF00069 6.7 Kd ChEMBL;BindingDB
Q14289 PTK2B Homo sapiens Human PF21477 PF00373 PF18038 PF03623 PF07714 6.7 Kd ChEMBL;BindingDB
Q8NE63 HIPK4 Homo sapiens Human PF00069 6.7 Kd ChEMBL;BindingDB
Q9BYT3 STK33 Homo sapiens Human PF00069 6.7 Kd ChEMBL;BindingDB
Q86TW2 ADCK1 Homo sapiens Human PF03109 6.6 Kd ChEMBL
Q9NRH2 SNRK Homo sapiens Human PF00069 6.6 Kd ChEMBL;BindingDB
P52333 JAK3 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.6 IC50 ChEMBL;BindingDB
P45984 MAPK9 Homo sapiens Human PF00069 6.6 Kd ChEMBL;BindingDB
P45983 MAPK8 Homo sapiens Human PF00069 6.6 Kd ChEMBL;BindingDB
O75385 ULK1 Homo sapiens Human PF12063 PF21127 PF00069 6.6 Kd ChEMBL;BindingDB
Q6ZSR9 Homo sapiens Human PF15282 6.6 Kd ChEMBL
P11362 FGFR1 Homo sapiens Human PF07679 PF00047 PF07714 6.5 Kd ChEMBL;BindingDB
P53350 PLK1 Homo sapiens Human PF00069 PF00659 6.5 Kd ChEMBL;BindingDB
O60885 BRD4 Homo sapiens Human PF17035 PF17105 PF00439 6.5 IC50 ChEMBL;BindingDB
Q6PHR2 ULK3 Homo sapiens Human PF04212 PF00069 6.5 Kd ChEMBL;BindingDB
O15197 EPHB6 Homo sapiens Human PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 6.5 Kd ChEMBL;BindingDB
P27448 MARK3 Homo sapiens Human PF02149 PF00069 PF00627 6.5 Kd ChEMBL;BindingDB
Q96D53 COQ8B Homo sapiens Human PF03109 6.5 Kd ChEMBL;BindingDB
Q9UQM7 CAMK2A Homo sapiens Human PF08332 PF00069 6.5 Kd ChEMBL;BindingDB
P29597 TYK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.5 IC50 ChEMBL;BindingDB
Q15831 STK11 Homo sapiens Human PF00069 6.5 Kd ChEMBL;BindingDB
Q58F21 BRDT Homo sapiens Human PF17035 PF17105 PF00439 6.5 IC50 ChEMBL;BindingDB
Q16816 PHKG1 Homo sapiens Human PF00069 6.5 Kd ChEMBL;BindingDB
Q00537 CDK17 Homo sapiens Human PF00069 6.5 Kd ChEMBL;BindingDB
Q9UQB9 AURKC Homo sapiens Human PF00069 6.5 Kd ChEMBL;BindingDB
O14920 IKBKB Homo sapiens Human PF18397 PF12179 PF00069 6.4 Kd ChEMBL;BindingDB
Q13163 MAP2K5 Homo sapiens Human PF00564 PF00069 6.4 Kd ChEMBL;BindingDB
Q13470 TNK1 Homo sapiens Human PF07714 PF22931 6.4 Kd ChEMBL;BindingDB
Q14164 IKBKE Homo sapiens Human PF00069 PF18394 PF18396 6.4 Kd ChEMBL;BindingDB
Q9UK32 RPS6KA6 Homo sapiens Human PF00069 PF00433 6.4 Kd ChEMBL;BindingDB
Q9HBH9 MKNK2 Homo sapiens Human PF00069 6.4 Kd ChEMBL;BindingDB
P30291 WEE1 Homo sapiens Human PF00069 6.4 Kd ChEMBL;BindingDB
Q13523 PRP4K Homo sapiens Human PF00069 6.4 Kd ChEMBL;BindingDB
O00238 BMPR1B Homo sapiens Human PF01064 PF07714 PF08515 6.4 Kd ChEMBL;BindingDB
Q15418 RPS6KA1 Homo sapiens Human PF00069 PF00433 6.4 Kd ChEMBL;BindingDB
P33981 TTK Homo sapiens Human PF00069 6.3 Kd ChEMBL;BindingDB
Q8IU85 CAMK1D Homo sapiens Human PF00069 6.3 Kd ChEMBL;BindingDB
P21802 FGFR2 Homo sapiens Human PF07679 PF13927 PF07714 6.3 Kd ChEMBL;BindingDB
Q08881 ITK Homo sapiens Human PF00779 PF00169 PF07714 PF00017 PF00018 6.3 Kd ChEMBL;BindingDB
Q96GD4 AURKB Homo sapiens Human PF00069 6.3 Kd ChEMBL;BindingDB
P07948 LYN Homo sapiens Human PF07714 PF00017 PF00018 6.3 Kd ChEMBL;BindingDB
Q8TD08 MAPK15 Homo sapiens Human PF00069 6.3 Kd ChEMBL;BindingDB
P07332 FES Homo sapiens Human PF00611 PF07714 PF00017 6.3 Kd ChEMBL;BindingDB
P22607 FGFR3 Homo sapiens Human PF21165 PF07679 PF13927 PF07714 6.3 Kd ChEMBL;BindingDB
Q15746 MYLK Homo sapiens Human PF16620 PF00041 PF07679 PF00069 6.3 Kd ChEMBL;BindingDB
Q13555 CAMK2G Homo sapiens Human PF08332 PF00069 6.3 Kd ChEMBL;BindingDB
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.2 Kd ChEMBL;BindingDB
P42684 ABL2 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 6.2 Kd ChEMBL;BindingDB
Q6P3R8 NEK5 Homo sapiens Human PF00069 6.2 Kd ChEMBL;BindingDB
Q9Y2U5 MAP3K2 Homo sapiens Human PF00564 PF00069 6.2 Kd ChEMBL;BindingDB
O43283 MAP3K13 Homo sapiens Human PF07714 6.2 Kd ChEMBL;BindingDB
Q13557 CAMK2D Homo sapiens Human PF08332 PF00069 6.2 Kd ChEMBL;BindingDB
P08922 ROS1 Homo sapiens Human PF00041 PF07714 6.2 Kd ChEMBL;BindingDB
P07333 CSF1R Homo sapiens Human PF00047 PF25305 PF07714 6.2 Kd ChEMBL;BindingDB
Q9UEE5 STK17A Homo sapiens Human PF00069 6.2 Kd ChEMBL;BindingDB
P51451 BLK Homo sapiens Human PF07714 PF00017 PF00018 6.2 Kd ChEMBL;BindingDB
P51956 NEK3 Homo sapiens Human PF00069 6.2 Kd ChEMBL;BindingDB
Q9NYL2 MAP3K20 Homo sapiens Human PF07714 PF07647 6.2 Kd ChEMBL;BindingDB
Q9UM73 ALK Homo sapiens Human PF12810 PF00629 PF07714 6.2 Kd ChEMBL;BindingDB
Q9H2G2 SLK Homo sapiens Human PF00069 PF12474 6.2 Kd ChEMBL;BindingDB
P35590 TIE1 Homo sapiens Human PF00041 PF00047 PF07714 6.2 Kd ChEMBL;BindingDB
Q9P0L2 MARK1 Homo sapiens Human PF02149 PF00069 PF00627 6.2 Kd ChEMBL;BindingDB
P21709 EPHA1 Homo sapiens Human PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 6.1 Kd ChEMBL;BindingDB
Q9UL54 TAOK2 Homo sapiens Human PF00069 6.1 Kd ChEMBL;BindingDB
O15146 MUSK Homo sapiens Human PF01392 PF07679 PF13927 PF07714 6.1 Kd ChEMBL;BindingDB
Q52WX2 SBK1 Homo sapiens Human PF00069 6.1 Kd ChEMBL;BindingDB
Q12866 MERTK Homo sapiens Human PF00041 PF00047 PF13927 PF07714 6.1 Kd ChEMBL;BindingDB
O15111 CHUK Homo sapiens Human PF18397 PF12179 PF00069 6.1 Kd ChEMBL;BindingDB
P04629 NTRK1 Homo sapiens Human PF13855 PF16920 PF07714 PF18613 6.1 Kd ChEMBL;BindingDB
P06213 INSR Homo sapiens Human PF00757 PF17870 PF07714 PF01030 6.1 Kd ChEMBL;BindingDB
Q06187 BTK Homo sapiens Human PF00779 PF00169 PF07714 PF00017 PF00018 6.1 Kd ChEMBL;BindingDB
Q86Z02 HIPK1 Homo sapiens Human PF00069 6.1 Kd ChEMBL;BindingDB
P11802 CDK4 Homo sapiens Human PF00069 6.1 Kd ChEMBL;BindingDB
Q8N568 DCLK2 Homo sapiens Human PF03607 PF00069 6.1 Kd ChEMBL;BindingDB
Q9NRP7 STK36 Homo sapiens Human PF13646 PF00069 6.1 Kd ChEMBL;BindingDB
P68400 CSNK2A1 Homo sapiens Human PF00069 6.0 Kd ChEMBL;BindingDB
P53667 LIMK1 Homo sapiens Human PF00412 PF00595 PF07714 6.0 Kd ChEMBL;BindingDB
Q5S007 LRRK2 Homo sapiens Human PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 6.0 Kd ChEMBL;BindingDB
Q16832 DDR2 Homo sapiens Human PF21114 PF00754 PF07714 6.0 Kd ChEMBL;BindingDB
Q96L34 MARK4 Homo sapiens Human PF02149 PF00069 PF00627 6.0 Kd ChEMBL;BindingDB
Q09013 DMPK Homo sapiens Human PF08826 PF00069 6.0 Kd ChEMBL;BindingDB
Q9BQI3 EIF2AK1 Homo sapiens Human PF22949 PF00069 6.0 Kd ChEMBL;BindingDB
Q9H2X6 HIPK2 Homo sapiens Human PF00069 6.0 Kd ChEMBL;BindingDB
P9WI81 pknB Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) Pathogen PF03793 PF00069 7.0 Kd ChEMBL;BindingDB
DrugBank Target Actions (15)
Target Gene Target Name Action Type
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P31513 P31513 Flavin-containing monooxygenase 3 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
O60674 JAK2 Tyrosine-protein kinase JAK2 inhibitor targets
P23458 JAK1 Tyrosine-protein kinase JAK1 inhibitor targets
P36888 FLT3 Receptor-type tyrosine-protein kinase FLT3 inhibitor targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
P09086 POU2F2 POU domain, class 2, transcription factor 2 inhibitor transporters
Q86VL8 SLC47A2 Multidrug and toxin extrusion protein 2 inhibitor transporters
Q96FL8 SLC47A1 Multidrug and toxin extrusion protein 1 inhibitor transporters
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters