BEFIRADOL


SMILES Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1
InChIKey PKZXLMVXBZICTF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 393.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8PKM

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Pig 5-Hydroxytryptamine A pKi 4.64 4.64 4.64 ChEMBL
D1 DRD1 Pig Dopamine A pKi 4.58 4.58 4.58 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.7 5.7 5.7 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.07 9.07 9.07 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.0 5.0 5.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.0 9.0 9.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.34 4.58 4.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.59 7.61 7.63 ChEMBL