compound 46c [PMID: 29350534]


SMILES O1CCC(CC1)NC/C=C/CN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2
InChIKey QPAGOTNPJABYCP-FITNPZAZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 446.3

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
CXCR4 CXCR4 Mouse Chemokine A pIC50 8.03 8.03 8.03 Guide to Pharmacology
CXCR4 CXCR4 Mouse Chemokine A pIC50 8.03 8.03 8.03 ChEMBL
CXCR4 CXCR4 Human Chemokine A pIC50 7.81 7.81 7.81 ChEMBL
CXCR4 CXCR4 Human Chemokine A pIC50 7.81 7.81 7.81 Guide to Pharmacology