| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 26 | No |
Popular Name: Nitrendipine Nitrendipine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39562-70-4 , 84845-75-0 , [39562-70-4]
39562-70-4; Baypress (TN); D00629; Nitrendipine (JP16/USAN/INN)
39562-70-4; C07713; Nitrendipine
Bayotensin; Baypress; Bylotensin; Deiten; Nidrel
CPD000058366; NITRENDIPINE; SAM001246531
Ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Nitrendipin;Nitrendipino [INN-Spanish];Nitrendipinum [INN-Latin]
| 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) | 3.94 | 10.4 | -17.04 | 1 | 8 | 0 | 110 | 360.366 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antihypertensive agent. Induces NO-release in endothelial cells | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.42e-02 g/l | DrugBank-approved |
| Purity | 98% | APIChem |
| Indications | Antihypertensive | KeyOrganics Bioactives |
| biological_use | Antihypertensive agent | IBScreen Bioactives IBScreen Bioactives |
| Therapy | Ca2+ channel blocker; antihypertensive | SMDC Iconix |
| mechanism | Calcium antagonist | IBScreen Bioactives |
| Target | Calcium Channel | Selleck Chemicals |
| biological_use | Induces NO-release in endothelial cells | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00418n | NIH Clinical Collection via PubChem |
| mechanism | Potassium channel (IK Ca ) blocker | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00418n | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8960 | 0.27 | Binding ≤ 10μM |
| AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 8300 | 0.27 | Binding ≤ 10μM |
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CAC1D-1-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CAC1F-1-E | Voltage-gated L-type Calcium Channel Alpha-1F Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CAC1S-1-E | Voltage-gated L-type Calcium Channel Alpha-1S Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5000 | 0.29 | Binding ≤ 10μM |
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.48 | Functional ≤ 10μM |
| CAC1D-1-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.48 | Functional ≤ 10μM |
| CAC1F-1-E | Voltage-gated L-type Calcium Channel Alpha-1F Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.48 | Functional ≤ 10μM |
| CAC1S-1-E | Voltage-gated L-type Calcium Channel Alpha-1S Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.48 | Functional ≤ 10μM |
| TRPA1-4-E | Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 3800 | 0.29 | Functional ≤ 10μM |
| Z102306-1-O | Aorta (cluster #1 Of 6), Other | Other | 30 | 0.41 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.27 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 1 | 0.48 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 3 | 0.46 | Functional ≤ 10μM |
| Z80387-3-O | PC-12 (Adrenal Phaeochromacytoma Cells) (cluster #3 Of 3), Other | Other | 10 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 0.15 | 0.53 | Binding ≤ 1μM |
| CAC1D_HUMAN | Q01668 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human | 0.15 | 0.53 | Binding ≤ 1μM |
| CAC1F_HUMAN | O60840 | Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human | 0.15 | 0.53 | Binding ≤ 1μM |
| CAC1S_HUMAN | Q13698 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human | 0.15 | 0.53 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 8960 | 0.27 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 8300 | 0.27 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 10000 | 0.27 | Binding ≤ 10μM |
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 0.15 | 0.53 | Binding ≤ 10μM |
| CAC1D_HUMAN | Q01668 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human | 0.15 | 0.53 | Binding ≤ 10μM |
| CAC1F_HUMAN | O60840 | Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human | 0.15 | 0.53 | Binding ≤ 10μM |
| CAC1S_HUMAN | Q13698 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human | 0.15 | 0.53 | Binding ≤ 10μM |
| Z102306 | Z102306 | Aorta | 30 | 0.41 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 1 | 0.48 | Functional ≤ 10μM |
| Z80387 | Z80387 | PC-12 (Adrenal Phaeochromacytoma Cells) | 10 | 0.43 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 7943.28235 | 0.27 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 28 | 0.41 | Functional ≤ 10μM |
| TRPA1_MOUSE | Q8BLA8 | Transient Receptor Potential Cation Channel Subfamily A Member 1, Mouse | 3800 | 0.29 | Functional ≤ 10μM |
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 1 | 0.48 | Functional ≤ 10μM |
| CAC1D_HUMAN | Q01668 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human | 1 | 0.48 | Functional ≤ 10μM |
| CAC1F_HUMAN | O60840 | Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human | 1 | 0.48 | Functional ≤ 10μM |
| CAC1S_HUMAN | Q13698 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human | 1 | 0.48 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| G alpha (i) signalling events | |
| NCAM1 interactions | |
| Regulation of insulin secretion | |
| TRP channels | |
| Voltage gated Potassium channels |
