CHEMBL3905850


SMILES CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12)C1CC1
InChIKey PSZUVLHNNPZVCD-XRPRFISDSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 407.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.79 6.79 6.79 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.72 6.72 6.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.66 5.66 5.66 ChEMBL
A1 AA1R Human Adenosine A pKi 6.99 6.99 6.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database