Chembl378455


SMILES C1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1
InChIKey UOKGFRGTMUWXQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 315.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Pig 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 ChEMBL
D1 DRD1 Pig Dopamine A pKi 5.52 5.52 5.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 9.23 9.23 9.23 ChEMBL
D4 DRD4 Human Dopamine A pEC50 8.02 8.13 8.25 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.43 7.43 7.43 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.48 7.48 7.48 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.48 8.48 8.48 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.42 7.48 7.55 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.5 8.1 8.77 ChEMBL