CHEMBL4473739


SMILES NC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1
InChIKey NBDHEWVPZVSZLX-GEKCLDMMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 254.1

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
A1 AA1R Mouse Adenosine A pKi 7.6 7.6 7.6 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.72 5.72 5.72 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.63 5.63 5.63 ChEMBL
A1 AA1R Human Adenosine A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.06 7.06 7.06 ChEMBL
A1 AA1R Human Adenosine A pEC50 5.61 5.87 6.12 ChEMBL