CHEMBL4294350


SMILES NCCCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1
InChIKey ZLNSJZCPMMZNSC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 503.2

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
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.72 8.72 8.72 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.47 8.47 8.47 ChEMBL
A1 AA1R Human Adenosine A pKi 5.62 5.62 5.62 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.19 8.19 8.19 ChEMBL
A3 AA3R Human Adenosine A pKi 5.22 5.22 5.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database