Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0FE7H
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| Former ID |
DIB018026
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| Drug Name |
PMID10498202C1
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| Synonyms |
4oc6; GTPL6541; BDBM50080960
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| Drug Type |
Small molecular drug
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| Indication | Multiple sclerosis [ICD-11: 8A40; ICD-9: 340] | Clinical trial | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C44H40BrCl2N3O8
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| Canonical SMILES |
COC1=C(C=C(C(=C1)C(=O)NC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C(CN(CCC4=C(C=C(C=C4)Cl)Cl)C(=O)CCN5C(=O)C6=CC=CC=C6C5=O)O)Br)OC
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| InChI |
1S/C44H40BrCl2N3O8/c1-56-39-24-34(35(45)25-40(39)57-2)42(53)48-37(22-27-9-8-12-31(21-27)58-30-10-4-3-5-11-30)38(51)26-49(19-17-28-15-16-29(46)23-36(28)47)41(52)18-20-50-43(54)32-13-6-7-14-33(32)44(50)55/h3-16,21,23-25,37-38,51H,17-20,22,26H2,1-2H3,(H,48,53)/t37-,38-/m0/s1
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| InChIKey |
DQHKQRXAVNDAFY-UWXQCODUSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cathepsin D (CTSD) | 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 | Synthesis and structure activity relationships of novel small molecule cathepsin D inhibitors. Bioorg Med Chem Lett. 1999 Sep 6;9(17):2531-6. | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6541). | |||
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