Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0S3BO
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| Former ID |
DNC007478
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| Drug Name |
KNI-10006
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| Synonyms |
KNI-10006; CHEMBL231522; (4r)-3-[(2s,3s)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-Hydroxy-4-Phenylbutanoyl]-N-[(1s,2r)-2-Hydroxy-2,3-Dihydro-1h-Inden-1-Yl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxamide; 3kdb; 3fnu; 3qs1; SCHEMBL13788265; BDBM50209559; 461444-55-3
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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 |
C35H41N3O6S
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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)NC4C(CC5=CC=CC=C45)O)(C)C)O
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| InChI |
1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1
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| InChIKey |
KKTYZYHUPKXLPL-RIQJEONASA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cathepsin D (CTSD) | Target Info | Inhibitor | [1] |
| Plasmodium Plasmepsin 1 (Malaria PLA1) | Target Info | Inhibitor | [1] | |
| Plasmodium Plasmepsin 2 (Malaria PLA2) | Target Info | Inhibitor | [2] | |
| BioCyc | Thyroid hormone biosynthesis | |||
| KEGG Pathway | Sphingolipid signaling pathway | |||
| Lysosome | ||||
| Tuberculosis | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Pathway Interaction Database | LKB1 signaling events | |||
| Ceramide signaling pathway | ||||
| Direct p53 effectors | ||||
| Validated nuclear estrogen receptor alpha network | ||||
| Reactome | Collagen degradation | |||
| Metabolism of Angiotensinogen to Angiotensins | ||||
| MHC class II antigen presentation | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases. Bioorg Med Chem. 2009 Aug 15;17(16):5933-49. | |||
| REF 2 | 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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