| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 33 | Yes |
1-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic ac
139481-59-7; C07468; Candesartan
139481-59-7; Candesartan (USAN/INN); D00522
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
2-(ethyloxy)-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid
2-Ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid
2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid
2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid
2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl}-1H-benzimidazole-7-carboxylic acid
2-Ethoxy-3-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl] methyl]-3H-benzoimidazole-4-carboxylic acid
2-ethoxy-3-[[4-[2-(1h-tetrazol-5-yl)phenyl]phenyl]methyl]-3h-benzoimidazole-4-carboxylic acid
2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
2-ethoxy-7-carboxy-1-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methylbenzimidazole
Atacand, Blopress, Amias, Ratacand
Atacand, Blopress, Amias, Ratacand,Candesartan
TETRAZOLYLBIPHENYLYLMETHYLETHOXYBENZOIMIDAZOLECARBOXYLICA
| 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) | 4.55 | 10.46 | -102.72 | 0 | 9 | -2 | 120 | 438.447 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.55 | 11.48 | -77.52 | 1 | 9 | -1 | 121 | 439.455 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.55 | 11.56 | -45.76 | 2 | 9 | 0 | 123 | 440.463 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 183-185° | Oakwood Chemical |
| ALOGPS_SOLUBILITY | 7.71e-03 g/l | DrugBank-approved |
| Purity | 95+% | Matrix Scientific |
| Indications | antihypertensive | KeyOrganics Bioactives |
| Therapy | antihypertensive, angiotensin II inhibitor | SMDC Iconix |
| Patent Database Links | EP1197226; EP1262180; EP1329218; EP1356815; EP1541175; EP1559424; EP1579862; EP1579872; EP1611886; EP1627638; EP1655298; EP1656940; EP1671632; EP1723962; EP1731169; EP1776954; EP1785144; EP1832576; EP1862181; EP1867342; EP1894567; EP1897546; EP1908469; EP | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| Target | RAAS | Selleck Chemicals |
| Purity | USP24 | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1-1-E | Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 28 | 0.32 | Binding ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 110 | 0.30 | Binding ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.64 | 0.39 | Binding ≤ 1μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 110 | 0.30 | Binding ≤ 1μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 110 | 0.30 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 0.64 | 0.39 | Binding ≤ 10μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 110 | 0.30 | Binding ≤ 10μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 110 | 0.30 | Binding ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 0.2 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.