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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR8 CCR8 Human Chemokine A pIC50 5.28 5.28 5.28 ChEMBL
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