CHEMBL140872


SMILES O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1
InChIKey WEVJMQOBCRCIPF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 328.2

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
D4 DRD4 Rat Dopamine A pKi 8.19 8.19 8.19 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.38 5.38 5.38 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.1 7.1 7.1 ChEMBL
H1 HRH1 Human Histamine A pKi 6.04 6.04 6.04 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.19 8.19 8.19 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.38 5.38 5.38 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.61 6.61 6.61 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.66 7.66 7.66 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.52 7.52 7.52 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.01 7.01 7.01 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.01 7.01 7.01 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.61 6.61 6.61 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.52 7.52 7.52 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.66 7.66 7.66 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.38 5.38 5.38 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 8.19 8.19 8.19 PDSP Ki database
H1 HRH1 Human Histamine A pKi 6.04 6.04 6.04 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 6.17 6.17 6.17 ChEMBL