Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P6RT
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| Former ID |
DIB019434
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| Drug Name |
PMID8410973C3
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| Synonyms |
GTPL8634; BDBM50008139; 137302-35-3
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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 |
C35H52F2N6O8S
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| Canonical SMILES |
C=CCC(C(=O)NC(CC1CCCCC1)C(=O)C(C(=O)NCCN2CCOCC2)(F)F)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4
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| InChI |
1S/C35H52F2N6O8S/c1-2-9-28(39-33(46)30(25-27-12-7-4-8-13-27)41-52(48,49)43-18-22-51-23-19-43)32(45)40-29(24-26-10-5-3-6-11-26)31(44)35(36,37)34(47)38-14-15-42-16-20-50-21-17-42/h2,4,7-8,12-13,26,28-30,41H,1,3,5-6,9-11,14-25H2,(H,38,47)(H,39,46)(H,40,45)/t28-,29-,30-/m0/s1
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| InChIKey |
MQDDTALXSBQTQP-DTXPUJKBSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cathepsin D (CTSD) | Target Info | Inhibitor | [1] |
| Cathepsin E (CTSE) | Target Info | Inhibitor | [1] | |
| Pepsinogen-5 (PGA5) | Target Info | Inhibitor | [1] | |
| Progastricsin pepsinogen C (PGC) | Target Info | Inhibitor | [1] | |
| 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 | Specificity in the binding of inhibitors to the active site of human/primate aspartic proteinases: analysis of P2-P1-P1'-P2' variation. J Med Chem. 1993 Sep 3;36(18):2614-20. | |||
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