CHEMBL311795


SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1
InChIKey HMBFXHIQISYDKM-RXVVDRJESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 503.3

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
CCR5 CCR5 Human Chemokine A pKi 8.52 8.53 8.55 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.14 6.14 6.14 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.24 6.31 6.34 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.24 6.24 6.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Human Chemokine A pIC50 11.0 11.0 11.0 ChEMBL