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Compound Detail

CHEMBL1200402

AMLODIPINE BESYLATE
💊 Approved Drug
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💊 Approved Drug
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200402
Name AMLODIPINE BESYLATE
Phase Approved
Structure Type MOL
InChI Key ZPBWCRDSRKPIDG-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1491
Active Moiety CHEMBL1491

Known Names

Amlodipine (as besilate) Amlodipine benzenesulfonate Amlodipine besilate Amlodipine besylate Amlodipine besylate component of amlessa Amlodipine besylate component of amturnide Amlodipine besylate component of azor Amlodipine besylate component of caduet Amlodipine besylate component of consensi Amlodipine besylate component of copalia Amlodipine besylate component of dafiro amlodipine besilate Amlodipine besylate component of dafiro-hct amlodipine besilate +18 more
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
30
Known Names
17
Indications
1
Mechanisms

Molecular Properties

408.9
MW (Da)
2.27
ALogP
7
HBA
2
HBD
99.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1992
Availability Prescription
Chirality Racemic

Routes of Administration

Oral
USAN Stem -dipine; -pine
USAN Year 1988

Extended Properties

Molecular Formula C26H31ClN2O8S
MW 567.06
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.78

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Voltage-gated L-type calcium channel blocker BLOCKER Voltage-gated L-type calcium channel ✓ ✓

Indications

Angina Pectoris Angina Pectoris, Variant Angina, Stable Coronary Artery Disease Diabetes Mellitus Heart Failure Heart Failure Hypercholesterolemia Hyperlipidemias Hyperlipoproteinemia Type II Hypertension Myocardial Infarction Osteoarthritis Stroke Essential Hypertension Proteinuria Lecithin Cholesterol Acyltransferase Deficiency

Activity Summary

EC50 3 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 1 group I member 2
CHEMBL3401
 EC50 4.55 4.5167 28200.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nuclear receptor subfamily 1 group I member 2 EC50 = 28200.0 nM 4.55 Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay 20966043
Nuclear receptor subfamily 1 group I member 2 EC50 = 31600.0 nM 4.5 Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by l... 20966043
Nuclear receptor subfamily 1 group I member 2 EC50 = 31600.0 nM 4.5 Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induc... 20966043

Literature References

PubMed DOI Target Context # Activities
20966043 10.1124/dmd.110.035105 Nuclear receptor subfamily 1 group I member 2 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.1007/s00044-005-0140-0 Cholinesterase 1
- 10.1007/s00044-005-0140-0 Acetylcholinesterase 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine