Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04TSV
|
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| Former ID |
DNC012404
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| Drug Name |
CI-992
|
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| Drug Type |
Small molecular drug
|
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| Indication | Hypertension [ICD9: 401; ICD10:I10-I16] | Terminated | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C33H52N6O7S2
|
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| Canonical SMILES |
CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CSC(=N2)N)NC(=O)C(CC3<br />=CC=CC=C3)NS(=O)(=O)N4CCOCC4)O)O
|
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| InChI |
1S/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t26-,27-,28-,29-,30+/m0/s1
|
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| InChIKey |
QGJKHQRFJGLJLV-VFFRCKCKSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cathepsin D | Target Info | Inhibitor | [2] | |
| BioCyc Pathway | 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 | |||||
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002298) | ||||
| REF 2 | J Med Chem. 1992 Jul 10;35(14):2562-72.Structure-activity relationships of a series of 2-amino-4-thiazole-containing renin inhibitors. | ||||
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