plerixafor


SMILES C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1
InChIKey YIQPUIGJQJDJOS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 4
Molecular weight (Da) 502.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations CXCR4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Human Chemokine A pKi 6.85 6.85 6.85 Guide to Pharmacology
CXCR4 CXCR4 Human Chemokine A pKi 4.2 5.73 6.85 ChEMBL
CXCR4 CXCR4 Human Chemokine A pKi 8.22 8.22 8.22 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Human Chemokine A pIC50 6.19 6.19 6.19 Guide to Pharmacology
ACKR3 ACKR3 Human Chemokine A pEC50 6.85 6.85 6.85 Guide to Pharmacology
CXCR4 CXCR4 Rat Chemokine A pIC50 6.97 6.98 7.0 ChEMBL
CXCR4 CXCR4 Human Chemokine A pIC50 4.82 7.04 9.09 ChEMBL
CCR2 CCR2 Human Chemokine A pIC50 7.98 7.98 7.98 Drug Central
CCR4 CCR4 Human Chemokine A pIC50 8.21 8.21 8.21 Drug Central
ACKR3 ACKR3 Human Chemokine A pEC50 8.16 8.16 8.16 Drug Central
CXCR4 CXCR4 Rat Chemokine A pIC50 8.16 8.16 8.16 Drug Central
CCR2 CCR2 Human Chemokine A pIC50 10.05 10.23 10.4 ChEMBL