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Compound Detail

CHEMBL1516

OLMESARTAN
🧪 Phase III
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🧪 Phase III
CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1516
Name OLMESARTAN
Phase Phase III
Structure Type MOL
InChI Key VTRAEEWXHOVJFV-UHFFFAOYSA-N

Known Names

NSC-759810 Olmesartan Olmesartan medoxomil impurity, olmesartan- RNH-6270
2
Targets
5
Activities
2
Assay Types
8
PK Parameters
20
Publications
4
Known Names
7
Indications
1
Mechanisms

Molecular Properties

446.5
MW (Da)
3.66
ALogP
7
HBA
3
HBD
129.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -sartan
USAN Year 2002

Extended Properties

Molecular Formula C24H26N6O3
MW 446.51
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.06

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Type-1 angiotensin II receptor antagonist ANTAGONIST Type-1 angiotensin II receptor ✓ ✓

Indications

Arrhythmias, Cardiac Atrial Fibrillation Essential Hypertension Hypertension Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Stroke

Activity Summary

IC50 3 meas. best 8.11
Kd 2 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Kd 8.64 8.64 2.3 1
Type-1 angiotensin II receptor
CHEMBL3374
 IC50 8.11 8.0967 7.7 3

Pharmacokinetic Data

Parameter Value Units Species
CL - - Homo sapiens
CL - - Homo sapiens
CL 0.1983 mL.min-1.kg-1 Rattus norvegicus
CL 2.8 mL.min-1.kg-1 Rattus norvegicus
CL 1.113 mL.min-1.kg-1 Rattus norvegicus
CL 5.233 mL.min-1.kg-1 Rattus norvegicus
F 26.0 % Homo sapiens
Fu 0.01 - Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 2.3 nM 8.64 Displacement of 125I-[Sar1, Ile8] AngII from rat AT1 receptor expressed in COS1 ... 26390077
Type-1 angiotensin II receptor IC50 = 7.7 nM 8.11 Displacement of radiolabeled angiotensin 2 from angiotensin AT1 receptor in bovi... 21071232
Type-1 angiotensin II receptor IC50 = 8.1 nM 8.09 In vitro for inhibition of [125I]-angiotensin II (0.1 nM) binding to angiotensin... 8568823
Type-1 angiotensin II receptor IC50 = 8.1 nM 8.09 Binding affinity to angiotensin AT1 receptor in bovine adrenal cortex membranes 21071232

Literature References

PubMed DOI Target Context # Activities
8568823 10.1021/jm950450f Rattus norvegicus 6
22190695 10.1124/dmd.111.042101 Hepatocyte 4
21467212 10.1124/dmd.111.039180 Liver microsome 3
21071232 10.1016/j.bmc.2010.10.043 Type-1 angiotensin II receptor 3
16501004 10.1124/dmd.105.008888 ATP-binding cassette sub-family C member 2 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
21467212 10.1124/dmd.111.039180 ADMET 2
37468498 10.1038/s41467-023-40064-9 Type-1 angiotensin II receptor 2
22190695 10.1124/dmd.111.042101 ADMET 2
22931300 10.1021/tx300075j Cytochrome P450 3A4 2
32272420 10.1016/j.ejmech.2020.112258 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
32272420 10.1016/j.ejmech.2020.112258 COS-7 2
22931300 10.1021/tx300075j Cytochrome P450 2C9 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1

Data from ChEMBL 36 via Core Engine