compound 11 [PMID: 12812482]


SMILES O=C(C[C@@H]1C(=O)Nc2c(N1S(=O)(=O)c1ccc(c(c1)Cl)Cl)cccc2)NCCc1ccc(cc1)C1=NCCN1
InChIKey HYJYRDCPGUEYND-XMMPIXPASA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 585.1

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
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.47 6.47 6.47 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.4 5.4 5.4 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.06 6.06 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Human Chemokine A pIC50 8.62 8.62 8.62 Guide to Pharmacology
CCR2 CCR2 Human Chemokine A pIC50 8.33 9.06 9.62 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 9.15 9.15 9.15 Guide to Pharmacology
CCR5 CCR5 Human Chemokine A pIC50 8.37 8.54 8.62 ChEMBL