FELODIPINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1991)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C08CA02
UNII: OL961R6O2C

Structure
InChI Key RZTAMFZIAATZDJ-UHFFFAOYSA-N
Smile CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
InChI
InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19Cl2NO4
Molecular Weight 384.26
AlogP 3.96
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 64.63
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 25.0

Experimental and Estimated Properties

Property Name Value Unit Method
log P (octanol-water) 3.86 - EXP
Henry's Law Constant 1.35E-11 atm-m3/mole EST
Atmospheric OH Rate Constant 1.14E-10 cm3/molecule-sec EST
Water Solubility 19.7 mg/L EST
Vapor Pressure 4.40E-08 mm Hg EST

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Mineralocorticoid receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 37000 - - 20
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 4
- 4960 - - 58
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
1900-7100 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 18
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 16
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 69700 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 3 D003327 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
15.45
General disorders and administration site conditions
12.34
Nervous system disorders
11.83
Cardiac disorders
9.61
Gastrointestinal disorders
7.91
Metabolism and nutrition disorders
6.73
Psychiatric disorders
4.36
Skin and subcutaneous tissue disorders
4.36
Investigations
4.29
Injury, poisoning and procedural complications
4.21
Respiratory, thoracic and mediastinal disorders
4.21
Musculoskeletal and connective tissue disorders
3.84
Renal and urinary disorders
2.59
Immune system disorders
2.37

Cross References

Resources Reference
CAS NUMBER 72509-76-3
ChEBI 585948
ChEMBL CHEMBL1480
DrugBank DB01023
DrugCentral 1142
EPA CompTox DTXSID4023042
FDA SRS OL961R6O2C
Human Metabolome Database HMDB0015158
Guide to Pharmacology 4190
PharmGKB PA449591
PubChem 3333
SureChEMBL SCHEMBL26398
ZINC ZINC19802035
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