Molecule Details
| InChIKey | BFSMGDJOXZAERB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Dabrafenib |
| Canonical SMILES | CC(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 pChEMBL | 6.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08912 |
|---|---|
| Drug Name | Dabrafenib |
| CAS Number | 1195765-45-7 |
| Groups | approved investigational |
| ATC Codes | L01EC02 |
| Description | Dabrafenib 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 |