CHEMBL1258223


SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1
InChIKey WKWADEWWLCVVLF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 396.2

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 7.37 7.37 7.37 ChEMBL
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
D3 DRD3 Rat Dopamine A pKi 6.47 6.47 6.47 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.07 5.07 5.07 ChEMBL
D5 DRD5 Human Dopamine A pKi 6.01 6.01 6.01 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.64 5.64 5.64 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 5.56 5.56 5.56 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 8.7 8.7 8.7 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.09 6.09 6.09 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.88 5.88 5.88 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.64 5.64 5.64 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.17 6.17 6.17 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.01 6.01 6.01 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.25 6.25 6.25 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.24 5.24 5.24 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.12 6.12 6.12 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.08 6.08 6.08 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.66 6.66 6.66 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.31 6.31 6.31 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.65 5.65 5.65 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.18 7.18 7.18 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.36 6.36 6.36 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.16 6.16 6.16 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.75 5.75 5.75 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.52 6.52 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pEC50 7.85 7.85 7.85 ChEMBL