Molecule Details
InChIKeyHWXVIOGONBBTBY-ONEGZZNKSA-N
Compound NamePacritinib
Canonical SMILESC1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C/COCc3cccc(c3)C(=C1)N2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)27
Pfam Stratification Cross-Family
Avg pChEMBL6.98
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB11697
Drug NamePacritinib
CAS Number937272-79-2
Groups approved investigational
ATC Codes L01EJ03
DescriptionMyelofibrosis (MF) is a rare disorder characterized by hematopoietic abnormalities and fibrosis within the bone marrow.[L40793] The underlying cause of primary MF is unknown, but secondary MF can arise in patients with a history of polycythemia vera or essential thrombocythemia.[L40793] While some p...

Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Janus Kinase 2, antagonists & inhibitors Janus Kinase Inhibitor Janus Kinases, antagonists & inhibitors Kinase Inhibitor OCT1 inhibitors OCT2 Inhibitors P-glycoprotein inhibitors Potential QTc-Prolonging Agents Protein Kinase Inhibitors QTc Prolonging Agents Tyrosine Kinase Inhibitors fms-Like Tyrosine Kinase 3, antagonists & inhibitors
Cross-references: BindingDB: 50210177 CHEMBL2035187 ChemSpider: 28518965 PDB: 6T3 PubChem:46216796 PubChem:347828062 RxCUI: 2595243 Wikipedia: Pacritinib ZINC: ZINC000043153645
Target Activities (27)
Target Gene Organism Category Pfam pChEMBL Type Source
Q15831 STK11 Homo sapiens Human PF00069 8.5 Kd ChEMBL
P16083 NQO2 Homo sapiens Human PF02525 8.4 Kd ChEMBL
O60674 JAK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 7.7 IC50 ChEMBL;BindingDB
P36888 FLT3 Homo sapiens Human PF00047 PF07714 7.7 IC50 ChEMBL;BindingDB
Q04771 ACVR1 Homo sapiens Human PF01064 PF07714 PF08515 7.7 Kd ChEMBL
Q86TW2 ADCK1 Homo sapiens Human PF03109 7.5 Kd ChEMBL
Q9Y616 IRAK3 Homo sapiens Human PF00531 PF00069 7.5 Kd ChEMBL
Q9NSY1 BMP2K Homo sapiens Human PF15282 PF00069 7.4 Kd ChEMBL
P07333 CSF1R Homo sapiens Human PF00047 PF25305 PF07714 7.4 IC50 ChEMBL;BindingDB
P51617 IRAK1 Homo sapiens Human PF00531 PF00069 7.4 IC50 ChEMBL;BindingDB
Q2M2I8 AAK1 Homo sapiens Human PF00069 7.4 Kd ChEMBL
P29597 TYK2 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 7.3 IC50 ChEMBL
Q6ZSR9 Homo sapiens Human PF15282 7.3 Kd ChEMBL
Q9UKE5 TNIK Homo sapiens Human PF00780 PF00069 7.0 Kd ChEMBL
P49759 CLK1 Homo sapiens Human PF00069 6.9 Kd ChEMBL
Q92918 MAP4K1 Homo sapiens Human PF00780 PF00069 6.8 Kd ChEMBL
Q9UPZ9 CILK1 Homo sapiens Human PF00069 6.6 Kd ChEMBL
O95819 MAP4K4 Homo sapiens Human PF00780 PF00069 6.5 Kd ChEMBL
P23458 JAK1 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.5 IC50 ChEMBL
P19784 CSNK2A2 Homo sapiens Human PF00069 6.4 Kd ChEMBL
P52333 JAK3 Homo sapiens Human PF18379 PF18377 PF17887 PF07714 PF21990 6.3 IC50 ChEMBL;BindingDB
Q96GD4 AURKB Homo sapiens Human PF00069 6.2 Kd ChEMBL
O14976 GAK Homo sapiens Human PF00069 PF10409 6.2 Kd ChEMBL
Q14164 IKBKE Homo sapiens Human PF00069 PF18394 PF18396 6.2 Kd ChEMBL
Q13470 TNK1 Homo sapiens Human PF07714 PF22931 6.0 Kd ChEMBL
P17252 PRKCA Homo sapiens Human PF00130 PF00168 PF00069 PF00433 6.0 Kd ChEMBL
P50750 CDK9 Homo sapiens Human PF00069 6.0 Kd ChEMBL
DrugBank Target Actions (13)
Target Gene Target Name Action Type
P05177 CYP1A2 Cytochrome P450 1A2 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
O60674 JAK2 Tyrosine-protein kinase JAK2 inhibitor targets
P36888 FLT3 Receptor-type tyrosine-protein kinase FLT3 inhibitor targets
P52333 JAK3 Tyrosine-protein kinase JAK3 modulator targets
O15244 SLC22A2 Solute carrier family 22 member 2 inhibitor transporters
O15245 SLC22A1 Solute carrier family 22 member 1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters