AMLODIPINE BESYLATE

Search structure
Synonyms:
Status: Approved (1992)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 864V2Q084H

Structure
InChI Key ZPBWCRDSRKPIDG-UHFFFAOYSA-N
Smile CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1
InChI
InChI=1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H31ClN2O8S
Molecular Weight 567.06
AlogP 2.27
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 99.88
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated L-type calcium channel blocker DailyMed Wikipedia Wikipedia Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
28200-31600 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 117

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Proteinuria 3 D011507 ClinicalTrials
Essential Hypertension 3 D000075222 ClinicalTrials
Lecithin Cholesterol Acyltransferase Deficiency 1 D007863 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 2669
ChEMBL CHEMBL1200402
EPA CompTox DTXSID2043909
FDA SRS 864V2Q084H
SureChEMBL SCHEMBL41282
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