| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 16th, 2008 | 30 | Yes |
Popular Name: Losartan Losartan
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 114798-26-4 , 124750-99-8 , 124750-99-8, 114798-26-4 [losartan] , [114798-26-4] , [124750-99-8]
(2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazol-5-yl)methanol
(2-butyl-4-chloro-1-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazol-5-yl)methanol
(2-Butyl-4-chloro-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazol-5-yl)methanol
114798-26-4; D08146; Losartan (INN); Losartic (TN)
124750-99-8 (mono-potassium salt)
124750-99-8; Cozaar (TN); D00357; Losartan potassium (JP16/USAN)
1H-Imidazole-5-methanol, 2-butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)(1,1'- biphenyl)-4-yl)methyl)-
1H-imidazole-5-methanol, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
2-Butyl-4-chloro-1-((2'-(1H-etrazol-5-yl) (1,1'-biphenyl)-4-yl)methyl)-1H-imidazole-5-methanol
2-butyl-4-chloro-1-[p-(o-1H-tetrazol-5ylphenyl)benzyl]imidazole-5-methanol
2-Butyl-4-chloro-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl-1H-imidazole-5-methanol
2-n-butyl-4-chloro-5-hydroxymethyl-1-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]imidazole
2-n-butyl-4-chloro-5-hydroxymethyl-1-[[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl]imidazole
5-(4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}biphenyl-2-yl)tetrazol-1-ide
CPD000469593; LOSARTAN Potassium; 124750-99-8
CPD000469593; LOSARTAN Potassium; SAM001246635
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
| 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) | 4.87 | 9.35 | -51.76 | 1 | 7 | -1 | 91 | 421.912 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.87 | 9.43 | -17.19 | 2 | 7 | 0 | 93 | 422.92 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.70e-03 g/l | DrugBank-approved |
| mechanism | Angiotensin II AT1-receptor antagonist | IBScreen Bioactives |
| Indications | antihypertensive | KeyOrganics Bioactives |
| Therapy | antihypertensive, AT1 angiotensin II antagonist | SMDC Iconix |
| UniProt Database Links | CP2C9_HUMAN; S226A_XENLA; S226B_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT | ChEBI |
| Patent Database Links | EP1106210; EP1197226; EP1262180; EP1329218; EP1356815; EP1438962; EP1514543; EP1544198; EP1548009; EP1559424; EP1579872; EP1627638; EP1634880; EP1671632; EP1707565; EP1723962; EP1731169; EP1741711; EP1746099; EP1764365; EP1776954; EP1790353; EP1862181; EP | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01580l; 1 potassium | NIH Clinical Collection via PubChem |
| biological_use | Orally active antihypertensive agent | IBScreen Bioactives IBScreen Bioactives |
| Target | RAAS | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01580l; SALT: 1 potassium | NIH Clinical Collection via PubChem |
| biological_use | Used in the treatment of congestive heart failure | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACE-1-E | Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 19 | 0.36 | Binding ≤ 10μM |
| AGTR1-1-E | Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.38 | Binding ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| AGTRA-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.38 | Binding ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.38 | Binding ≤ 10μM |
| AGTR1-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.37 | Functional ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 89 | 0.33 | Functional ≤ 10μM |
| AGTRA-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 82 | 0.33 | Functional ≤ 10μM |
| AGTRB-1-E | Angiotensin II Type 1b (AT-1b) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.38 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 3 | 0.40 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 19 | 0.36 | Functional ≤ 10μM |
| Z80902-1-O | HASMC (Aortic Smooth Muscle Cells) (cluster #1 Of 2), Other | Other | 1 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 18 | 0.36 | Binding ≤ 1μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 1.8 | 0.41 | Binding ≤ 1μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 120 | 0.32 | Binding ≤ 1μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 1.8 | 0.41 | Binding ≤ 1μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 150 | 0.32 | Binding ≤ 1μM |
| AGTR2_RAT | P35351 | Angiotensin II Type 2 (AT-2) Receptor, Rat | 13 | 0.37 | Binding ≤ 1μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 19 | 0.36 | Binding ≤ 1μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 18 | 0.36 | Binding ≤ 10μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 120 | 0.32 | Binding ≤ 10μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 1.8 | 0.41 | Binding ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 1.8 | 0.41 | Binding ≤ 10μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 150 | 0.32 | Binding ≤ 10μM |
| AGTR2_RAT | P35351 | Angiotensin II Type 2 (AT-2) Receptor, Rat | 13 | 0.37 | Binding ≤ 10μM |
| ACE_HUMAN | P12821 | Angiotensin-converting Enzyme, Human | 19 | 0.36 | Binding ≤ 10μM |
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 19 | 0.36 | Functional ≤ 10μM |
| AGTR1_RABIT | P34976 | Angiotensin II Type 1a (AT-1a) Receptor, Rabit | 10 | 0.37 | Functional ≤ 10μM |
| AGTR1_BOVIN | P25104 | Angiotensin II Type 1a (AT-1a) Receptor, Bovin | 330 | 0.30 | Functional ≤ 10μM |
| AGTRA_RAT | P25095 | Angiotensin II Type 1a (AT-1a) Receptor, Rat | 74 | 0.33 | Functional ≤ 10μM |
| AGTRB_RAT | P29089 | Angiotensin II Type 1b (AT-1b) Receptor, Rat | 19 | 0.36 | Functional ≤ 10μM |
| AGTR2_HUMAN | P50052 | Angiotensin II Type 2 (AT-2) Receptor, Human | 89 | 0.33 | Functional ≤ 10μM |
| AGTR2_RAT | P35351 | Angiotensin II Type 2 (AT-2) Receptor, Rat | 82 | 0.33 | Functional ≤ 10μM |
| Z80902 | Z80902 | HASMC (Aortic Smooth Muscle Cells) | 0.71 | 0.43 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 24 | 0.36 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 19 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Metabolism of Angiotensinogen to Angiotensins | |
| Peptide ligand-binding receptors |
