CHEMBL5653592


SMILES O=C(c1nnc(NC2CCCC2)c2cc(Cl)c(Cl)cc12)N1CCC(O)CC1
InChIKey NGGSLWXNDXYNJL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 408.1

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
A3 AA3R Human Adenosine A pKi 4.89 4.89 4.89 ChEMBL
A1 AA1R Human Adenosine A pKi 5.51 5.51 5.51 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 4.89 4.89 4.89 ChEMBL
κ OPRK Human Opioid A pKi 5.57 5.57 5.57 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.7 4.7 4.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database