CHEMBL2178569


SMILES CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O
InChIKey QKMUXXQVPOBBPT-VQMMKQGYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 518.2

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
CCR1 CCR1 Human Chemokine A pKi 8.64 8.64 8.64 ChEMBL
CCR5 CCR5 Human Chemokine A pKi 9.0 9.0 9.0 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Human Chemokine A pIC50 8.47 8.47 8.47 ChEMBL