Structure

InChI Key OXCMYAYHXIHQOA-UHFFFAOYSA-N
Smile CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[K+]
InChI
InChI=1S/C22H22ClN6O.K/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;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22ClKN6O
Molecular Weight 461.01
AlogP 4.27
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 92.51
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Type-1 angiotensin II receptor antagonist

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Marfan Syndrome 3 D008382 ClinicalTrials
Hypertrophy, Left Ventricular 3 D017379 ClinicalTrials
Essential Hypertension 3 D000075222 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Eosinophilic Esophagitis 2 D057765 ClinicalTrials
Pre-Eclampsia 1 D011225 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL995
EPA CompTox DTXSID3044209
FDA SRS 3ST302B24A
PubChem 11476710
SureChEMBL SCHEMBL42079