CHEMBL4784104


SMILES CC1(C)CN2C(CS/C(N)=N\[C@H]3CC[C@H](CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC3)=CSC2=N1
InChIKey MJZIMFHRLDKHOO-RKTVTGNMSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 7
Rotatable bonds 21
Molecular weight (Da) 979.5

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
μ OPRM Mouse Opioid A pKi 8.42 8.42 8.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Human Chemokine A pIC50 5.08 5.26 5.44 ChEMBL
μ OPRM Human Opioid A pIC50 7.52 7.52 7.52 ChEMBL
μ OPRM Human Opioid A pEC50 7.3 7.3 7.3 ChEMBL