| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2008 | 32 | Yes |
Popular Name: Valsartan Valsartan
Find On: PubMed — Wikipedia — Google
CAS Numbers: 137862-53-4 , 137863-60-6 , [137862-53-4] , [137862-87-4]
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
(R)-2-(N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid
(S)-2-(N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid
(S)-2-(N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoicacid
(s)-2-(n-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoic acid
(s)-3-methyl-2-(pentanoyl-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino)-butyric acid 137862-53-
(S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid
(S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine
137862-53-4; D00400; Diovan (TN); Valsartan (JP16/USAN/INN)
3-Methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-butanoic acid
AMLODIPINE; EXFORGE; LS-187829; VALSARTAN
C24H29N5O3.C7H8ClN3O4S2; DIOVAN HCT; HYDROCHLOROTHIAZIDE; VALSARTAN; LS-178534
CPD000466318; SAM001246581; VALSARTAN
D10226; Sucabitril valsartan sodium hydrate (JAN)
L-Valine, N-(1-oxopentyl)-N-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- (9CI)
L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine
N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine
N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine
N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine
N-valeryl-N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)valine
| 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) | 3.08 | 12.6 | -119.08 | 0 | 8 | -2 | 113 | 433.512 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 13.62 | -64.47 | 1 | 8 | -1 | 115 | 434.52 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 117 | TCI |
| ALOGPS_SOLUBILITY | 2.34e-02 g/l | DrugBank-approved |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 98% | APIChem |
| mechanism | Angiotensin 2 receptor antagonist | IBScreen Bioactives |
| Therapy | Angiotensin II inhibitor, antihypertensive | SMDC Iconix |
| Indications | antihypertensive | KeyOrganics Bioactives |
| biological_use | Antihypertensive agent | IBScreen Bioactives |
| Patent Database Links | EP1106210; EP1197226; EP1329218; EP1356815; EP1514543; EP1533305; EP1553091; EP1559424; EP1579862; EP1579872; EP1588706; EP1611886; EP1627638; EP1629835; EP1661891; EP1671632; EP1674080; EP1714651; EP1714963; EP1723962; EP1746099; EP1774967; EP1776953; EP | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP00900v | NIH Clinical Collection via PubChem |
| Target | RAAS | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP00900v | NIH Clinical Collection via PubChem |
| 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 | 4700 | 0.23 | Binding ≤ 10μM |
| AGTRA-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.37 | Binding ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.37 | Binding ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 1 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 2.7 | 0.37 | Binding ≤ 1μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 2.7 | 0.37 | Binding ≤ 1μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 1.9 | 0.38 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 2.7 | 0.37 | Binding ≤ 10μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 2.7 | 0.37 | Binding ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 1.9 | 0.38 | Binding ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 1.4 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
