Teijin-lead_cmp_5


SMILES O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F
InChIKey MRRGKBBDXLJMCV-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 433.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations CCR2

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR2 CCR2 Human Chemokine A pKi 6.5 6.5 6.5 Guide to Pharmacology
CCR2 CCR2 Human Chemokine A pKi 5.11 6.13 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR2 CCR2 Human Chemokine A pIC50 4.0 6.75 7.8 ChEMBL