CHEMBL5403404


SMILES CCCN1CCN(c2ccc3c(c2)C(N(C)C(=O)OCc2ccccc2)CCC3)CC1
InChIKey PBFDUYRSNDQIDN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 421.3

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 5.4 5.4 5.4 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.87 6.87 6.87 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.44 6.44 6.44 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.59 5.59 5.59 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.48 5.48 5.48 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.18 5.18 5.18 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.34 6.34 6.34 ChEMBL
H1 HRH1 Human Histamine A pKi 7.7 7.7 7.7 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.18 5.18 5.18 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.63 5.63 5.63 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.99 5.99 5.99 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.11 6.11 6.11 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.16 6.16 6.16 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.12 6.12 6.12 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.81 6.81 6.81 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.36 6.36 6.36 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 ChEMBL
H3 HRH3 Human Histamine A pKi 5.87 5.87 5.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database