Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R2WK
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| Former ID |
DNC013651
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| Drug Name |
NVP-TAE684
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| Synonyms |
761439-42-3; NVP-TAE684; NVP-TAE 684; TAE684; TAE-684; 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine; TAE684 (NVP-TAE684); TAE 684; UNII-EH1713MN4K; CHEMBL509032; EH1713MN4K; 5-Chloro-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-2,4-pyrimidinediamine; C30H40ClN7O3S
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| Drug Type |
Small molecular drug
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| Indication | Lymphoma [ICD-11: 2A80-2A86; ICD-9: 202.8, 208.9] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C30H40ClN7O3S
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| Canonical SMILES |
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC
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| InChI |
1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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| InChIKey |
QQWUGDVOUVUTOY-UHFFFAOYSA-N
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| CAS Number |
CAS 761439-42-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
24420733, 26586860, 41797425, 99205953, 99436912, 103583785, 103904598, 104099207, 109692872, 124757006, 124947877, 125163811, 125434026, 126582049, 126738823, 131480685, 134350856, 134964417, 135642892, 135686038, 135686039, 135686060, 135686061, 135697739, 135727576, 136340215, 136367306, 136367856, 138475841, 143499019, 144116303, 152239917, 152258113, 152344265, 160646952, 162011368, 162037441, 162202654, 172650400, 174006515, 174530590, 177748736, 178102340, 180190843, 185998799, 187071979, 188899497, 198959115, 223680889, 223705047
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| ChEBI ID |
CHEBI:91338
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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: 5714). | |||
| REF 2 | Identification of NVP-TAE684, a potent, selective, and efficacious inhibitor of NPM-ALK. Proc Natl Acad Sci U S A. 2007 Jan 2;104(1):270-5. | |||
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