CHEMBL319352


SMILES Cn1nnc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1
InChIKey USCDVFNXTCISHV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 488.2

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
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.96 8.96 8.96 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 9.64 9.64 9.64 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.48 6.48 6.48 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 8.7 8.7 8.7 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.32 7.32 7.32 ChEMBL
H1 HRH1 Human Histamine A pKi 6.3 6.3 6.3 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.85 6.85 6.85 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.37 5.37 5.37 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.92 5.92 5.92 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.89 6.89 6.89 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.85 6.85 6.85 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database