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Drug Details
01. General Information
Name Vemurafenib
PubChem CID 42611257
Molecular Weight 489.9g/mol
Synonyms

Vemurafenib, 918504-65-1, PLX4032, Zelboraf, 1029872-54-5, PLX-4032, N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, PLX 4032, RG7204, RG 7204, RO 5185426, Vemurafenib (PLX4032, RG7204), N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, vemurafenibum, RG-7204, RO5185426, UNII-207SMY3FQT, Vemurafenib (PLX4032), 207SMY3FQT, C23H18ClF2N3O3S, Ro 51-85426, CHEBI:63637, HSDB 8143, RO-5185426, N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide, RO-51-85426, DTXSID50238710, MFCD18074504, NSC761431, N-(3-((5-(4-Chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4- difluorophenyl)propane-1-sulfonamide, N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-PropanesulfonaMide, Vemurafenib;PLX-4032, VEMURAFENIB (MART.), VEMURAFENIB [MART.], 1-Propanesulfonamide, N-(3-((5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3- yl)carbonyl)-2,4-difluorophenyl)-, 1-PROPANESULFONAMIDE, N-[3-[[5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]CARBONYL]-2,4-DIFLUOROPHENYL]-, N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide, Zelboraf (TN), 1-Propanesulfonamide, N-(3-((5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-, n-(3-((5-(4-chlorophenyl)-1h-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-1-propanesulfonamide, Vemurafenib [USAN], Vemurafenib [USAN:INN], N-(3-((5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)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, N-(3-{(5-(4-chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl}-2,4- difluorophenyl)propane-1-sulfonamide, 3og7, VEMURAFENIB [MI], 1415041-85-8, Vemurafenib; PLX4032, VEMURAFENIB [INN], VEMURAFENIB [JAN], VEMURAFENIB [VANDF], Vemurafenib (PLX4032)?, VEMURAFENIB [WHO-DD], SCHEMBL298931, Propane-1-sulfonic acid (3-, Vemurafenib (JAN/USAN/INN), GTPL5893, CHEMBL1229517, DTXCID00161201, EX-A053, L01XE15, VEMURAFENIB [ORANGE BOOK], GPXBXXGIAQBQNI-UHFFFAOYSA-N, HMS3265M03, HMS3265M04, HMS3265N03, HMS3265N04, HMS3654P09, HMS3748G15, BCP25783, EX-A1335, BDBM50396483, HB4285, NSC800964, s1267, AKOS007930804, AM81259, CCG-264883, CS-0216, DB08881, ME-0096, NSC-761431, NSC-800964, PB11741, NCGC00250399-01, NCGC00250399-05, NCGC00250399-08, AC-25010, HY-12057, N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl]propane-1-sulfonamide, SY067868, FT-0660388, FT-0675792, FT-0689782, NS00008103, SW218095-2, BRAF(V600E) Kinase Inhibitor RO5185426, A25476, A25742, BRAF (V600E) kinase inhibitor RO5185426, D09996, R-7204, AB01273970-01, AB01273970_03, EN300-23265091, Q423111, SR-01000941568, carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide, J-522975, J-690009, SR-01000941568-1, BRD-K56343971-001-02-3, BRD-K56343971-001-05-6, PLX4032,Vemurafenib, RG7204, RO5185426, Zelboraf, N-{3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-, RO5185426 , RG7204 , PLX4032, [(2S,5R)-2,5-Dimethyl-4-[(tetrahydro-2H-pyran-4-yl)methyl]-1-piperazinyl][3-[(5-fluoro-2-methyl-4-pyrimidinyl)amino]-4,6-dihydro-6,6 -dimethylpyrrolo[3,4-c]pyrazol-5(1H)-yl]methanone, 1-Propanesulfonamide, N-(3-((5-(4-chlorophenyl)-1H- pyrrolo(2,3-b)pyridin-3- yl)carbonyl)-2,4-difluorophenyl)-, N-(3-(5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)-propane-1-sulfonamide, propane-1-sulfonic acid {3-[5-(4-chloro-phenyl)-1h-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide

Drug Type Small molecule
Formula C₂₃H₁₈ClF₂N₃O₃S
SMILES CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F
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)
InChIKey GPXBXXGIAQBQNI-UHFFFAOYSA-N
CAS Number 918504-65-1
ChEMBL ID CHEMBL1229517
ChEBI ID CHEBI:63637
TTD ID D0Y9EW
Drug Bank ID DB08881
KEGG ID D09996
Toxicity Organism Test Type Route(Dose)
rat LD50 intraperitoneal(165 mg/kg)
mouse LD50 intraperitoneal(254 mg/kg)
rat LD50 oral(322 mg/kg)
Structure 2D-img
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2D MOL 3D MOL
02. Combinatorial Therapeutic Effect(s)
Synergistic Effect
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Enhancing Drug Efficacy
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Combination Pair ID: 394
Pair Name Curcumin, Vemurafenib
Partner Name Curcumin
Disease Info [ICD-11: 2C30] Melanoma Investigative
Biological Phenomena Induction-->Apoptosis
Gene Regulation Down-regulation Phosphorylation AKT1 hsa207
Down-regulation Phosphorylation EGFR hsa1956
Down-regulation Phosphorylation MAPK1 hsa5594
Up-regulation Expression ROS1 hsa6098
In Vitro Model A375.S2 Amelanotic melanoma Homo sapiens (Human) CVCL_0136
Result Curcumin suppresses cell proliferation and triggers apoptosis in vemurafenib-resistant melanoma cells by downregulating the EGFR signaling pathway
03. Reference
No. Title Href
1 Curcumin suppresses cell proliferation and triggers apoptosis in vemurafenib-resistant melanoma cells by downregulating the EGFR signaling pathway. Environ Toxicol. 2022 Apr;37(4):868-879. doi: 10.1002/tox.23450. Click
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