Molecule Details
| InChIKey | SVJMLYUFVDMUHP-MGBGTMOVSA-N |
|---|---|
| Compound Name | (+)-Niguldipine |
| Canonical SMILES | COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14068 |
|---|---|
| Drug Name | Dexniguldipine |
| CAS Number | 120054-86-6 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Agents causing hyperkalemia Antiarrhythmic agents Antihypertensive Agents Antineoplastic Agents Bradycardia-Causing Agents Calcium Channel Blockers Calcium-Regulating Hormones and Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Membrane Transport Modulators P-glycoprotein inhibitors Pyridines
Cross-references: ChEBI: 103932 CHEMBL2051956 ChemSpider: 5293311 ZINC: ZINC000100057432
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |