Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D06EJX
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| Former ID |
DNC009330
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| Drug Name |
KNI-10538
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| Synonyms |
KNI-10538; CHEMBL508668; BDBM50273749; (R)-3-((2S,3S)-3-(2-(2,6-dimethyl-4-(pyridin-2-ylmethylamino)phenoxy)acetamido)-2-hydroxy-4-phenylbutanoyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylthiazolidine-4-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C41H47N5O6S
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| Canonical SMILES |
CC1=CC(=CC(=C1OCC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NC4C(CC5=CC=CC=C45)O)(C)C)O)C)NCC6=CC=CC=N6
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| InChI |
1S/C41H47N5O6S/c1-25-18-30(43-22-29-15-10-11-17-42-29)19-26(2)37(25)52-23-34(48)44-32(20-27-12-6-5-7-13-27)36(49)40(51)46-24-53-41(3,4)38(46)39(50)45-35-31-16-9-8-14-28(31)21-33(35)47/h5-19,32-33,35-36,38,43,47,49H,20-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-,36-,38+/m0/s1
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| InChIKey |
IEOXTIHUYRYEJG-CTRNRRKFSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Plasmodium Plasmepsin 2 (Malaria PLA2) | Target Info | Inhibitor | [1] |
| References | Top | |||
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| REF 1 | Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution. Bioorg Med Chem Lett. 2010 Aug 15;20(16):4836-9. | |||
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