MRS7469


SMILES OC[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC(C1CCC1)C1CCC1
InChIKey KATPAPFGRPJUHJ-MXKWNSRKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 433.2

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
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.52 5.52 5.52 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.82 6.82 6.82 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.62 6.62 6.62 ChEMBL
A1 AA1R Human Adenosine A pKi 8.05 8.05 8.05 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.21 6.21 6.21 ChEMBL
A1 AA1R Mouse Adenosine A pKi 8.61 8.61 8.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database