General Information of the Compound
| Compound ID |
CP0095082
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| Compound Name |
DABRAFENIB
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| Synonyms |
1195765-45-7
CHEBI:75045
Dabrafenib
Dabrafenib (GSK2118436)
Dabrafenib [USAN:INN]
GSK 2118436
GSK-2118436A
GSK2118436
GSK2118436A
N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide
N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(tert-butyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
QGP4HA4G1B
Tafinlar
UNII-QGP4HA4G1B
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| Structure |
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| Formula |
C23H20F3N5O2S2
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| Molecular Weight |
519.574
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| Canonical SMILES |
CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
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| InChI |
InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
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| InChIKey |
BFSMGDJOXZAERB-UHFFFAOYSA-N
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| CAS |
1195765-45-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03462, GTPase KRas
Protein ID: PT05364, Heat shock factor protein 1
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01116, RAF proto-oncogene serine/threonine-protein kinase
Protein ID: PT03251, Serine/threonine-protein kinase A-Raf
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Protein ID: PT01221, TGF-beta receptor type-1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000313 | SK-MEL-28 | Homo sapiens (Human) | 2 |
| 1 |
IC50 = 3 nM
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| 2 |
IC50 = 43 nM
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LO
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Clinical Information about the Compound