| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 15 | No |
Popular Name: Nicorandil Nicorandil
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 65141-46-0 , [65141-46-0]
2-(pyridine-3-carbonylamino)ethyl nitrate
2-(Pyridine-3-carboxamido)ethyl Nitrate
2-[(Pyridin-3-ylcarbonyl)amino]ethyl nitrate, N-[2-(Nitroxy)ethyl]pyridine-3-carboxamide
2-[(pyridin-3-ylcarbonyl)amino]ethylnitrat
3-Pyridinecarboxamide, N-(2-(nitrooxy)ethyl)-
3-Pyridinecarboxamide, N-(2-(nitroxy)ethyl)-
3-pyridinecarboxamide, N-[2-(nitrooxy)ethyl]-
65141-46-0; D01810; Nicorandil (JP16/USAN/INN); Sigmart (TN)
Aventis Pharma Brand of Nicorandil
CPD000466365; NICORANDIL; SAM001246701
Ikorel, Dancor, Nikoran, Aprior, Nitorubin, Sigmart
Merck Lipha Sante Brand of Nicorandil
N -(2-Hydroxyethyl)nicotinamide nitrate
N -[2-(Nitrooxy)ethyl]-3-pyridinecarboxamide
N-(2-Hydroxyethyl)nicotinamide nitrate
N-(2-Hydroxyethyl)nicotinamide nitrate (ester)
N-(2-Nitrooxy-ethyl)-nicotinamide
N-[2-(NITROOXY)ETHYL]-3-PYRIDINECARBOXAMIDE
N-[2-(Nitrooxy)ethyl]pyridine-3-carboxamide
Rhone Poulenc Rorer Brand of Nicorandil
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.52 | 3.37 | -9.16 | 1 | 7 | 0 | 97 | 211.177 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 90 | TCI |
| Indications | angina | KeyOrganics Bioactives |
| biological_use | Antioxidant | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Cardiant | IBScreen Bioactives |
| mechanism | Guanylate cyclase stimulator | IBScreen Bioactives IBScreen Bioactives |
| mechanism | May act as an indirect calcium antagonist | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP034079n | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| Target | Potassium Channel | Selleck Chemicals |
| mechanism | Potassium channel activator | IBScreen Bioactives |
| mechanism | Reported deoxyribose breakdown inhibitor | IBScreen Bioactives |
| mechanism | Reported potassium agonist | IBScreen Bioactives |
| mechanism | Reported vasodilador | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP034079n | NIH Clinical Collection via PubChem |
| biological_use | Smooth muscle relaxant | IBScreen Bioactives |
| Indications | vasodilator | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50590-1-O | Sus Scrofa (cluster #1 Of 1), Other | Other | 3200 | 0.51 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 1100 | 0.56 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 1100 | 0.56 | Functional ≤ 10μM |
| Z50590 | Z50590 | Sus Scrofa | 3200 | 0.51 | Functional ≤ 10μM |
