SB-282241


SMILES O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2
InChIKey QBRLVMQBZIFWTB-WEVVVXLNSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 499.2

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 7.0 7.0 7.0 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 8.5 8.5 8.5 ChEMBL
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.2 7.2 7.2 ChEMBL
CCR2 CCR2 Human Chemokine A pKi 5.6 6.83 7.78 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.1 7.1 7.1 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.6 7.6 7.6 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.1 7.1 7.1 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.1 8.1 8.1 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.8 7.8 7.8 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.9 7.9 7.9 ChEMBL
CCR5 CCR5 Human Chemokine A pKi 5.37 5.37 5.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR2 CCR2 Human Chemokine A pIC50 7.0 7.0 7.0 ChEMBL