| BioID | bio1877 |
|---|
| Name | VEMURAFENIB |
|---|
| ChEMBL ID | CHEMBL1229517 |
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| Molecular Formula | C23H18ClF2N3O3S |
|---|
| Molecular Weight | 489.93 |
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| Molecular Weight (Monoisotopic) | 489.0725 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 4 |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
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| Synonyms | PLX-4032|PLX4032|RG 7204|RG-7204|RO 5185426|RO-51-85426|RO-5185426|VEMURAFENIB|Zelboraf |
|---|
| Smiles | CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F |
|---|
| Inchi | InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) |
|---|
| Inchi Key | GPXBXXGIAQBQNI-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 406.0 |
|---|
| Bioactivities | 758.0 |
|---|
| Np Likeness Score | -1.38 |
|---|
| Records Key | ['1', '1', 'SID137275900', 'PLX4032, Zelboraf', 'PLX4032, Zelboraf', 'Vemurafenib', '1, PLX4032', '2, PLX4032', '3', 'VEMURAFENIB', 'Vemurafenib', 'PLX4032', '5, PLX4032, RG7204, Zelboraf', 'Zelboraf, RG7204, PLX4032, RO5185426', 'Vemurafenib', 'Vemurafenib', '1, PLX4032', 'BDBM50396483', '1', 'PLX-4032', '1', 'Zelboraf', 'XXIV, Zelboraf', 'VEMURAFENIB', 'VEMURAFENIB', 'Zelboraf, PLX4032', 'Vemurafenib', 'Vem', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', '1', 'Vemurafenib', '5653', 'PLX4032', 'PLX4032', '5', 'Vemurafenib', 'PLX-4032', 'Vemurafenib', 'C1', '2', 'Vemurafenib', '1', 'Vemurafenib脢', 'VEMURAFENIB', 'VEMURAFENIB', 'VEMURAFENIB', 'VEMURAFENIB', 'Vemurafenib', 'Zelboraf, PLX4032', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'VE', 'Vemurafenib', 'Vem', 'Vemurafenib', 'Vemurafenib', '9', 'Vemurafenib', 'VEMURAFENIB', 'Vemurafenib', 'Vemurafenib脗', 'Vemurafenib', 'COVC-2285336633', 'Vemurafenib', 'Vemurafenib', '1, PLX4032', 'PLX4032', '8', 'PLX4032', 'PLX4032', 'Vemurafenib', '8', 'I', 'Vemurafenib', 'Vemurafenib', '33', 'VEMURAFENIB', 'Vemurafenib', 'Vemurafenib', '1; Vem', 'Vemurafenib', 'Zelboraf', 'PLX-4720', 'vemurafenib', '9', '2', '28', '3', '1'] |
|---|
| Records Name | ['vemurafenib', 'vemurafenib', 'SID137275900', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'VEMURAFENIB', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'PLX-4032::RG 7204::Ro 5185426::US9388165, Reference, Vemurafenib (PLX-4032)::VEMURAFENIB', 'Vemurafenib', 'N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'VEMURAFENIB', 'VEMURAFENIB', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', None, 'Vemurafenib', 'Vemurafenib', 'Vemurafenib; Zelboraf', 'Vemurafenib', 'N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide', 'Vemurafenib', 'N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib脢', 'VEMURAFENIB', 'VEMURAFENIB', 'VEMURAFENIB', 'VEMURAFENIB', 'Vemurafenib', 'Vermurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'VEMURAFENIB', 'Vemurafenib', 'Vemurafenib脗', 'Vemurafenib', 'VEMURAFENIB', 'Vemurafenib', 'Vemurafenib', 'N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide', 'N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide', 'Vemurafenib', 'Vemurafenib; Zelboraf', 'Vemurafenib', 'Vemurafenib', 'N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib; N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide', 'VEMURAFENIB', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide', 'vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib', 'Vemurafenib'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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