Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0O1JH
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| Former ID |
DNC000836
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| Drug Name |
KNI-727
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| Synonyms |
KNI-727; KNI 727; 189357-33-3; JE-1482; N-(3-((4R)-4-(N-(tert-Butyl)carbamoyl)-5,5-dimethyl(1,3-thiazolidin-3-yl))(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)-2-(2,6-dimethylphenoxy)acetamide; Thiazolidinecarboxamide, N-(1,1-dimethylethyl)-3-[(2S,3S)-3-[[(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-, (4R)-; N-(3-{(4R)-4-[N-(tert-Butyl)carbamoyl]-5,5-dimethyl(1,3-thiazolidin-3-yl)}(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)-2-(2,6-dimethylphenoxy)acetamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C30H41N3O5S
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| Canonical SMILES |
CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NC(C)(C)C)(C)C)O
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| InChI |
1S/C30H41N3O5S/c1-19-12-11-13-20(2)25(19)38-17-23(34)31-22(16-21-14-9-8-10-15-21)24(35)28(37)33-18-39-30(6,7)26(33)27(36)32-29(3,4)5/h8-15,22,24,26,35H,16-18H2,1-7H3,(H,31,34)(H,32,36)/t22-,24-,26+/m0/s1
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| InChIKey |
CSWRAOHDICNMPU-LLZJGCNPSA-N
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| CAS Number |
CAS 189357-33-3
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Plasmodium Plasmepsin 2 (Malaria PLA2) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Identification and characterization of allophenylnorstatine-based inhibitors of plasmepsin II, an antimalarial target. Biochemistry. 2002 Feb 19;41(7):2273-80. | |||
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