CYCLOBENZAPRINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 0VE05JYS2P
EPA CompTox DTXSID2045105
Parent Compound: CYCLOBENZAPRINE

Structure

InChI Key VXEAYBOGHINOKW-UHFFFAOYSA-N
Smiles CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl
InChI
InChI=1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22ClN
Molecular Weight 311.86
AlogP 4.55
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 2a (5-HT2a) receptor antagonist ANTAGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 85.24-102.14
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 85.24-102.14

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin 2c (5-HT2c) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246

Cross References

Resources Reference
ChEBI 3997
ChEMBL CHEMBL1200636
FDA SRS 0VE05JYS2P
PubChem 22576
SureChEMBL SCHEMBL41376
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