Structure

InChI Key ZXKXJHAOUFHNAS-UHFFFAOYSA-N
Smiles CCNC(C)Cc1cccc(C(F)(F)F)c1.Cl
InChI
InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17ClF3N
Molecular Weight 267.72
AlogP 3.25
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1d (5-HT1d) receptor agonist AGONIST PubMed PubMed PubMed PubMed

Target Conservation

Protein: Serotonin 1d (5-HT1d) receptor

Description: 5-hydroxytryptamine receptor 1D

Organism : Homo sapiens

P28221 ENSG00000179546
Protein: Serotonin 2c (5-HT2c) receptor

Description: 5-hydroxytryptamine receptor 2C

Organism : Homo sapiens

P28335 ENSG00000147246
Protein: Sigma opioid receptor

Description: Sigma non-opioid intracellular receptor 1

Organism : Homo sapiens

Q99720 ENSG00000147955

Cross References

Resources Reference
ChEBI 59729
ChEMBL CHEMBL2106217
FDA SRS 3KC089243P
PubChem 91452
SureChEMBL SCHEMBL39491