Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0B1MJ
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| Former ID |
DIB009539
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| Drug Name |
Dexniguldipine
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| Synonyms |
Dexniguldipine hydrochloride; BY-935; B-8509-035; B-859-35
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Discontinued in Phase 2 | [1], [2] | |
| Company |
ALTANA Pharma AG
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| Structure |
 |
Download2D MOL |
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| Formula |
C36H39N3O6
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| Canonical SMILES |
CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC
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| InChI |
1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1
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| InChIKey |
SVJMLYUFVDMUHP-MGBGTMOVSA-N
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| CAS Number |
CAS 120054-86-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:103932
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Multidrug resistance protein 3 (ABCB4) | Target Info | Modulator | [3] |
| KEGG Pathway | ABC transporters | |||
| Bile secretion | ||||
| Reactome | PPARA activates gene expression | |||
| ABC-family proteins mediated transport | ||||
| WikiPathways | Nuclear Receptors in Lipid Metabolism and Toxicity | |||
| Farnesoid X Receptor Pathway | ||||
| Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha) | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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: 463). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002528) | |||
| REF 3 | Mechanism of action of dexniguldipine-HCl (B8509-035), a new potent modulator of multidrug resistance. Biochem Pharmacol. 1995 Mar 1;49(5):603-9. | |||
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