Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0IM5H
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| Former ID |
DNC009329
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| Drug Name |
KNI-10541
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| Synonyms |
KNI-10541; CHEMBL507484; BDBM50273748
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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 |
C40H52N4O6S
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| Canonical SMILES |
CCCCCNC1=CC(=C(C(=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NC4C(CC5=CC=CC=C45)O)(C)C)O)C
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| InChI |
1S/C40H52N4O6S/c1-6-7-13-18-41-29-19-25(2)36(26(3)20-29)50-23-33(46)42-31(21-27-14-9-8-10-15-27)35(47)39(49)44-24-51-40(4,5)37(44)38(48)43-34-30-17-12-11-16-28(30)22-32(34)45/h8-12,14-17,19-20,31-32,34-35,37,41,45,47H,6-7,13,18,21-24H2,1-5H3,(H,42,46)(H,43,48)/t31-,32+,34-,35-,37+/m0/s1
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| InChIKey |
MLHPSGOBOHSFGF-IVJJLKHCSA-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 | |||
|---|---|---|---|---|
| REF 1 | Antimalarial activity enhancement in hydroxymethylcarbonyl (HMC) isostere-based dipeptidomimetics targeting malarial aspartic protease plasmepsin. Bioorg Med Chem. 2008 Dec 1;16(23):10049-60. | |||
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