CHEMBL244946


SMILES Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1
InChIKey WIHMMKGUBDZGEG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 537.3

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
D3 DRD3 Rat Dopamine A pKd 9.34 9.34 9.34 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.7 6.7 6.7 ChEMBL
H1 HRH1 Human Histamine A pKi 6.1 6.1 6.1 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.99 8.71 9.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.02 6.29 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.2 6.2 6.2 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.8 6.8 6.8 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.5 5.5 5.5 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.5 6.5 6.5 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.8 5.8 5.8 ChEMBL