Structure

InChI Key IHWFKDWIUSZLCJ-UHFFFAOYSA-M
Smile CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[n-]2)cc1.[K+]
InChI
InChI=1S/C30H24N4O8.K/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26;/h4-14H,3,15-16H2,1-2H3,(H,32,33,36);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H23KN4O8
Molecular Weight 606.63
AlogP 4.71
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 155.59
Molecular species ACID
Aromatic Rings 6.0
Heavy Atoms 42.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.4
Nervous system disorders
11.51
Vascular disorders
9.96
Cardiac disorders
7.25
Gastrointestinal disorders
7.25
Investigations
6.29
Injury, poisoning and procedural complications
6.23
Respiratory, thoracic and mediastinal disorders
5.7
Product issues
5.65
Skin and subcutaneous tissue disorders
5.22
Psychiatric disorders
4.95
Musculoskeletal and connective tissue disorders
4.05
Metabolism and nutrition disorders
2.77
Renal and urinary disorders
2.61

Cross References

Resources Reference
ChEBI 68847
ChEMBL CHEMBL2103795
EPA CompTox DTXSID70235483
FDA SRS WEC6I2K1FC
PubChem 23699544
SureChEMBL SCHEMBL967310