BW-723C86


SMILES CC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CS3)N.Cl
InChIKey PYJBJMIBANAOFJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 322.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 6.71 7.2 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.1 7.82 8.97 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.3 6.64 7.11 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.3 6.1 6.6 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 7.6 7.84 7.9 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.5 5.5 5.5 PDSP Ki database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 5.1 5.1 5.1 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.5 5.5 5.5 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
β1 H0W3H1 Guinea pig Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 PDSP Ki database
M3 H0W1Z3 Guinea pig Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database