CHEMBL5412421


SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)c2O)c(=O)c1=O)c1ccc(C)o1
InChIKey MNULHNJDCIVGAO-JAXRLVAPSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 25
Molecular weight (Da) 1042.4

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
CXCR1 CXCR1 Human Chemokine A pKd 6.43 6.43 6.43 ChEMBL
CXCR2 CXCR2 Human Chemokine A pKd 7.06 7.31 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database