Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04TSV
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| Former ID |
DNC012404
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| Drug Name |
CI-992
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| Synonyms |
CI-992; CHEMBL34894; 135704-06-2; CTK4B9950; N-[2-(2-Amino-thiazol-4-yl)-1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-ethyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide; L-Alaninamide,N-(4-morpholinylsulfonyl)-L-phenylalanyl-3-(2-amino-4-thiazolyl)-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-(9CI); BDBM50006844
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| Drug Type |
Small molecular drug
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| Indication | Hypertension [ICD-11: BA00-BA04; ICD-9: 401] | Terminated | [1] | |
| Structure |
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Download2D MOL |
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| 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=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 | Top | |||
|---|---|---|---|---|
| Target(s) | Cathepsin D (CTSD) | 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 | 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 | Structure-activity relationships of a series of 2-amino-4-thiazole-containing renin inhibitors. J Med Chem. 1992 Jul 10;35(14):2562-72. | |||
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