Molecule Details
InChIKeyBFSMGDJOXZAERB-UHFFFAOYSA-N
Compound NameDabrafenib
Canonical SMILESCC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)33
Pfam Stratification Cross-Family
Avg pChEMBL6.82
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB08912
Drug NameDabrafenib
CAS Number1195765-45-7
Groups approved investigational
ATC Codes L01EC02
DescriptionDabrafenib mesylate (Tafinlar) is a reversible ATP-competitive kinase inhibitor and targets the MAPK pathway. It was approved on May 29, 2013, for the treatment of melanoma with V600E or V6000K mutation.[L41955] It was also used for metastatic non-small cell lung cancer with the same mutation.[L4195...

Categories: Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents B-Raf serine-threonine kinase (BRAF) inhibitors BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inducers Cytochrome P-450 CYP2C8 Inducers (weak) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strong) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inducers (strong) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index 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 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs causing inadvertant photosensitivity Enzyme Inhibitors Hydroxylamines Hyperglycemia-Associated Agents Kinase Inhibitor Narrow Therapeutic Index Drugs OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 inhibitors OATP1B3 substrates OCT2 Inhibitors Organic Anion Transporter 1 Inhibitors Organic Anion Transporting Polypeptide 1B1 Inhibitors Organic Anion Transporting Polypeptide 1B3 Inhibitors P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Photosensitizing Agents Potential QTc-Prolonging Agents Protein Kinase Inhibitors Proto-Oncogene Proteins B-raf, antagonists & inhibitors QTc Prolonging Agents UGT1A1 Inhibitors
Cross-references: BindingDB: 50428286 ChEBI: 75045 CHEMBL2028663 ChemSpider: 25948204 Drugs Product Database (DPD): 22126 D10064 PDB: P06 PubChem:44462760 PubChem:175427150 RxCUI: 1424911 Wikipedia: Dabrafenib ZINC: ZINC000068153186
Target Activities (33)
Target Gene Organism Category Pfam pChEMBL Type Source
P15056 BRAF Homo sapiens Human PF00130 PF07714 PF02196 9.0 IC50 ChEMBL;BindingDB
Q00536 CDK16 Homo sapiens Human PF00069 7.9 Kd ChEMBL
P24941 CDK2 Homo sapiens Human PF00069 7.7 Kd ChEMBL
P10398 ARAF Homo sapiens Human PF00130 PF07714 PF02196 7.6 IC50 ChEMBL;BindingDB
P04049 RAF1 Homo sapiens Human PF00130 PF07714 PF02196 7.6 IC50 ChEMBL;BindingDB
P53667 LIMK1 Homo sapiens Human PF00412 PF00595 PF07714 7.5 Kd ChEMBL
Q9BZL6 PRKD2 Homo sapiens Human PF00130 PF00169 PF00069 PF25525 7.5 Kd ChEMBL
Q00537 CDK17 Homo sapiens Human PF00069 7.4 Kd ChEMBL
Q8TD19 NEK9 Homo sapiens Human PF00069 PF25390 7.3 Kd ChEMBL
Q13470 TNK1 Homo sapiens Human PF07714 PF22931 7.2 Kd ChEMBL
O43353 RIPK2 Homo sapiens Human PF00619 PF07714 7.1 IC50 ChEMBL;BindingDB
P53671 LIMK2 Homo sapiens Human PF00412 PF00595 PF07714 7.1 Kd ChEMBL
Q76MJ5 ERN2 Homo sapiens Human PF00069 PF06479 6.9 Kd ChEMBL
O94806 PRKD3 Homo sapiens Human PF00130 PF00169 PF00069 PF25525 6.9 Kd ChEMBL
P11802 CDK4 Homo sapiens Human PF00069 6.9 Kd ChEMBL
Q9NYL2 MAP3K20 Homo sapiens Human PF07714 PF07647 6.7 Kd ChEMBL
O75385 ULK1 Homo sapiens Human PF12063 PF21127 PF00069 6.7 Kd ChEMBL
Q9Y572 RIPK3 Homo sapiens Human PF00069 PF12721 6.6 IC50 ChEMBL;BindingDB
P42684 ABL2 Homo sapiens Human PF08919 PF07714 PF00017 PF00018 6.5 Kd ChEMBL
Q00534 CDK6 Homo sapiens Human PF00069 6.5 Kd ChEMBL
P06493 CDK1 Homo sapiens Human PF00069 6.4 Kd ChEMBL
O15197 EPHB6 Homo sapiens Human PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 6.4 Kd ChEMBL
Q96PY6 NEK1 Homo sapiens Human PF00069 6.3 Kd ChEMBL
O00444 PLK4 Homo sapiens Human PF00069 PF18190 PF18409 6.3 Kd ChEMBL
P36896 ACVR1B Homo sapiens Human PF01064 PF00069 PF08515 6.2 Kd ChEMBL
Q9H0K1 SIK2 Homo sapiens Human PF00069 PF23312 6.2 Kd ChEMBL
P21709 EPHA1 Homo sapiens Human PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 6.2 Kd ChEMBL
P42685 FRK Homo sapiens Human PF07714 PF00017 PF00018 6.1 Kd ChEMBL
P06239 LCK Homo sapiens Human PF07714 PF00017 PF00018 6.1 Kd ChEMBL
P06241 FYN Homo sapiens Human PF07714 PF00017 PF00018 6.1 Kd ChEMBL
P41240 CSK Homo sapiens Human PF07714 PF00017 PF00018 6.1 Kd ChEMBL
Q9BQI3 EIF2AK1 Homo sapiens Human PF22949 PF00069 6.0 Kd ChEMBL
Q16584 MAP3K11 Homo sapiens Human PF07714 PF14604 6.0 Kd ChEMBL
DrugBank Target Actions (32)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inducer enzymes
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P22309 UGT1A1 UDP-glucuronosyltransferase 1A1 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10632 CYP2C8 Cytochrome P450 2C8 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P04049 RAF1 RAF proto-oncogene serine/threonine-protein kinase inhibitor targets
P15056 BRAF Serine/threonine-protein kinase B-raf inhibitor targets
P53667 LIMK1 LIM domain kinase 1 inhibitor targets
P57059 SIK1 Serine/threonine-protein kinase SIK1 inhibitor targets
Q8NG66 NEK11 Serine/threonine-protein kinase Nek11 inhibitor targets
O15244 SLC22A2 Solute carrier family 22 member 2 inhibitor transporters
Q4U2R8 SLC22A6 Solute carrier family 22 member 6 inhibitor transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 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
P46721 P46721 Solute carrier organic anion transporter family member 1A2 substrate transporters
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 substrate transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 substrate transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 substrate transporters