Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S3BO
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| Former ID |
DNC007478
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| Drug Name |
KNI-10006
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [530280] | ||
| Structure |
|
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(C3<br />C(=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 | |||||
| Target(s) | Plasmepsin 1 | Target Info | Inhibitor | [530280] | |
| Cathepsin D | Target Info | Inhibitor | [530280] | ||
| Plasmepsin 2 | Target Info | Inhibitor | [531036] | ||
| BioCyc Pathway | Thyroid hormone biosynthesis | ||||
| NetPath Pathway | IL2 Signaling Pathway | ||||
| Pathway Interaction Database | LKB1 signaling events | ||||
| Ceramide signaling pathway | |||||
| Direct p53 effectors | |||||
| Validated nuclear estrogen receptor alpha network | |||||
| References | |||||
| Ref 530280 | Bioorg Med Chem. 2009 Aug 15;17(16):5933-49. Epub 2009 Jul 3.alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases. | ||||
| Ref 531036 | Bioorg Med Chem Lett. 2010 Aug 15;20(16):4836-9. Epub 2010 Jun 25.Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution. | ||||
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