CHEMBL3612941


SMILES CCCNc1cc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12
InChIKey GIRNPZMJVDKGMF-UXUGMQHLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 485.1

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 7.42 7.42 7.42 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.12 6.12 6.12 ChEMBL
A1 AA1R Human Adenosine A pKi 5.61 5.61 5.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database