CHEMBL5074744


SMILES CC(C)c1nnc(CCNC(=O)COCC(=O)NCCCCCCCNC(=O)COCC(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
InChIKey RJZAGAMHLSCKAW-FIHPGCAYSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Na
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR5 CCR5 Rhesus macaque Chemokine A pKi 8.48 8.48 8.48 ChEMBL
μ OPRM Mouse Opioid A pKi 8.22 8.22 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pIC50 7.3 7.3 7.3 ChEMBL
μ OPRM Mouse Opioid A pEC50 7.44 7.44 7.44 ChEMBL
CCR5 CCR5 Human Chemokine A pEC50 7.03 7.03 7.03 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 7.24 7.24 7.24 ChEMBL
μ OPRM Human Opioid A pEC50 6.43 6.52 6.61 ChEMBL