CHEMBL4558185


SMILES CC[C@]12C=C(C(=O)OC)n3c(c(CCNC(=O)c4ccc(Br)cc4)c4ccccc43)[C@H]1N(C#N)CCC2
InChIKey IUXSPRUXYTWDEG-UHSQPCAPSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 560.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PrRP PRLHR Human Prolactin-releasing peptide A pIC50 5.61 5.61 5.61 ChEMBL
FPR1 FPR1 Human Formylpeptide A pIC50 5.97 5.97 5.97 ChEMBL
NPS NPSR1 Human Neuropeptide S A pIC50 5.24 5.24 5.24 ChEMBL
CCR8 CCR8 Human Chemokine A pIC50 5.28 5.28 5.28 ChEMBL