CHEMBL455288


SMILES O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1)c1ccc(OCCCN2CCCCC2)cc1
InChIKey OXJGPZFAZUEPIX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 13
Molecular weight (Da) 682.3

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
D5 DRD5 Human Dopamine A pKi 6.58 6.58 6.58 ChEMBL
H1 HRH1 Human Histamine A pKi 6.41 6.41 6.41 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.69 6.69 6.69 ChEMBL
H3 HRH3 Human Histamine A pKi 10.38 10.38 10.38 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.82 7.82 7.82 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.33 7.33 7.33 ChEMBL
H1 HRH1 Human Histamine A pKi 6.41 6.41 6.41 PDSP Ki database
H3 HRH3 Human Histamine A pKi 10.38 10.38 10.38 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 6.69 6.69 6.69 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 7.33 7.33 7.33 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 6.58 6.58 6.58 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.82 7.82 7.82 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database