CITALOPRAM


SMILES CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChIKey WSEQXVZVJXJVFP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 324.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pKi 5.74 5.74 5.74 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.15 6.15 6.15 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.79 5.79 5.79 ChEMBL
H1 HRH1 Human Histamine A pKi 6.43 6.43 6.43 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 4.3 4.3 4.3 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.93 5.93 5.93 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.81 6.81 6.81 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.23 8.23 8.23 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
H1 HRH1 Human Histamine A pKi 8.19 8.19 8.19 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.37 8.37 8.37 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 5.48 5.48 5.48 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.75 5.75 5.75 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.48 5.48 5.48 ChEMBL
H1 HRH1 Human Histamine A pIC50 5.5 5.5 5.5 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.74 5.74 5.74 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.53 6.53 6.53 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.5 4.5 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.24 8.24 8.24 Drug Central