Drug Information
| Drug General Information | Top | |||
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| Drug ID |
DELC48
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| Drug Name |
A-893
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| Synonyms |
1868232-32-9; (R)-N-cyclohexyl-3-((3,4-dichlorophenethyl)amino)-N-(2-((2-hydroxy-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethyl)amino)ethyl)propanamide; CHEMBL3590526; N-Cyclohexyl-N~3~-[2-(3,4-Dichlorophenyl)ethyl]-N-(2-{[(2r)-2-Hydroxy-2-(3-Oxo-3,4-Dihydro-2h-1,4-Benzoxazin-8-Yl)ethyl]amino}ethyl)-Beta-Alaninamide; SCHEMBL17476248; EX-A2769; BDBM50095537; AKOS030235552; ZINC230499113; ACN-037539; AC-29886; HY-19563; CS-0015655; Q27454706; 4GQ; N-Cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-[[(2R)-2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]ethyl]propanamide
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| Drug Type |
Small molecular drug
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| Indication | Lung cancer [ICD-11: 2C25.0; ICD-9: 162] | Preclinical | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C29H38Cl2N4O4
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| Canonical SMILES |
C1CCC(CC1)N(CCNCC(C2=C3C(=CC=C2)NC(=O)CO3)O)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl
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| InChI |
1S/C29H38Cl2N4O4/c30-23-10-9-20(17-24(23)31)11-13-32-14-12-28(38)35(21-5-2-1-3-6-21)16-15-33-18-26(36)22-7-4-8-25-29(22)39-19-27(37)34-25/h4,7-10,17,21,26,32-33,36H,1-3,5-6,11-16,18-19H2,(H,34,37)/t26-/m0/s1
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| InChIKey |
WVRBXBROEPXZHF-SANMLTNESA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | SET and MYND domain-containing protein 2 (SMYD2) | Target Info | Inhibitor | [1] |
| Pathway Interaction Database | p53 pathway | |||
| Reactome | PKMTs methylate histone lysines | |||
| WikiPathways | Histone Modifications | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2. ACS Med Chem Lett. 2015 Apr 29;6(6):695-700. | |||
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