CHEMBL345686


SMILES Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1
InChIKey YCXFHPUBGMMWJQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 516.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
κ OPRK Rat Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK2 GASR Rat Cholecystokinin A pIC50 9.96 9.96 9.96 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.84 6.84 6.84 ChEMBL