Drug Information
| Drug General Information | Top | |||
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| Drug ID |
DSHE52
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| Drug Name |
EPZ031686
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| Synonyms |
1808011-22-4; 6-chloro-2-oxo-N-((1R,3r,5S)-8-(((1-(4,4,4-trifluorobutyl)piperidin-4-yl)methyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)indoline-5-carboxamide; EPZ-031686; CHEMBL3798741; SCHEMBL17591794; SCHEMBL17591795; SCHEMBL21490167; BDBM378462; EX-A1613; NSC804862; US10266526, Compound 595; ZINC521836533; CS-5775; NSC-804862; HY-19324; A16375
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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] | Preclinical | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C26H34ClF3N4O4S
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| Canonical SMILES |
C1CC2CC(CC1N2S(=O)(=O)CC3CCN(CC3)CCCC(F)(F)F)NC(=O)C4=C(C=C5C(=C4)CC(=O)N5)Cl
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| InChI |
1S/C26H34ClF3N4O4S/c27-22-14-23-17(11-24(35)32-23)10-21(22)25(36)31-18-12-19-2-3-20(13-18)34(19)39(37,38)15-16-4-8-33(9-5-16)7-1-6-26(28,29)30/h10,14,16,18-20H,1-9,11-13,15H2,(H,31,36)(H,32,35)/t18?,19-,20+
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| InChIKey |
OTEIUEJPHNOGBG-IHWFROFDSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histone-lysine N-methyltransferase SMYD3 (SMYD3) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Therapeutical potential of deregulated lysine methyltransferase SMYD3 as a safe target for novel anticancer agents. Expert Opin Ther Targets. 2017 Feb;21(2):145-157. | |||
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