losartan   Click here for help

GtoPdb Ligand ID: 590

Synonyms: Cozaar® | DuP 753 | MK-954
Approved drug PDB Ligand
losartan is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Losartan is an angiotensin II (AT2) receptor antagonist drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 92.51
Molecular weight 422.16
XLogP 6.14
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl
Isomeric SMILES CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)CO)Cl
InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
InChI Key PSIFNNKUMBGKDQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
International Nonproprietary Names Click here for help
INN number INN
6913 losartan
Synonyms Click here for help
Cozaar® | DuP 753 | MK-954
Database Links Click here for help
CAS Registry No. 114798-26-4 (source: DrugBank)
ChEBI CHEBI:6541
ChEMBL Ligand CHEMBL191
DrugBank Ligand DB00678
DrugCentral Ligand 1610
GtoPdb PubChem SID 135650532
PubChem CID 3961
RCSB PDB Ligand LSN
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Wikipedia Losartan