Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02XNW
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| Former ID |
DCL000259
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| Drug Name |
VX-680
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| Synonyms |
Tozasertib; MK 0457; VX 680; VX6; L-001281814; MK-045; MK-0457; Tozasertib (USAN); VX-68; MK-0457, Tozasertib, VX680, VX-680; N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide; N-(4-(4-(3-methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide; Cyclopropanecarboxylic acid N-(4-((4-(4-methylpiperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)pyrimidin-2-yl)sulfanyl)phenyl)amide; Cyclopropane carboxylic acid{4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulphanyl]-phenyl}-amide; Cyclopropanecarboxylic Acid {4-[4-(4-Methyl-Piperazin-1-Yl)-6-(5-Methyl-2h-Pyrazol-3-Ylamino)-Pyrimidin-2-Ylsulfanyl]-Phenyl}-Amide
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C00-D48; ICD-9: 140-199, 210-229] | Phase 2 | [1], [2] | |
| Therapeutic Class |
Anticancer Agents
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| Company |
Vertex; Merck
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| Structure |
 |
Download2D MOL |
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| Formula |
C23H28N8OS
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| Canonical SMILES |
CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C
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| InChI |
1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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| InChIKey |
GCIKSSRWRFVXBI-UHFFFAOYSA-N
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| CAS Number |
CAS 639089-54-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
8149119, 10318339, 14907233, 22422965, 26683796, 39475635, 46394087, 46513935, 47160775, 49645761, 50100121, 51011682, 56355104, 57364809, 85246166, 91148021, 96024966, 99436958, 103023875, 103573134, 103905648, 114002454, 118844926, 123393021, 124756118, 124756963, 124788446, 125163769, 125333975, 126584085, 126647927, 126666957, 126728331, 131465120, 134221893, 134338916, 134964437, 135196779, 135631693, 135685114, 135685412, 135685413, 135685430, 135686018, 135686019, 135686032, 135686033, 136340127, 136367731, 137185042
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| ChEBI ID |
CHEBI:91336
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5718). | |||
| REF 2 | VX-680, a potent and selective small-molecule inhibitor of the Aurora kinases, suppresses tumor growth in vivo. Nat Med. 2004 Mar;10(3):262-7. | |||
| REF 3 | A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22. | |||
| REF 4 | Essential roles of mTOR/Akt pathway in Aurora-A cell transformation. Int J Biol Sci. 2009 Jun 19;5(5):444-50. | |||
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