Tan Lab | DSigDB

Gene Set: D4 : TTD - Plerixafor

Collection

D4 : TTD

Chemical Name

Plerixafor ( From PubChem : PLERIXAFOR )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Not	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
502.782 g/mol	6	8	2.2644	False(2/4)

Structure

InChI

InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2

InChIKey

Links

Gene (4 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			CXCR4		Successful target
TTD	Antagonist			CXCR4		Successful target
TTD	Drug(s)			CXCR4		Successful target
TTD	Drug(s)			CXCR4		Successful target
TTD	Antagonist			CXCR4		Successful target
TTD	Drug(s)			CXCR4		Successful target
PubChem	Potency	uM	22.387	KMT2A	-	GI(Protien) :
PubChem	Potency	uM	31.623	KMT2A	-	GI(Protien) :
PubChem	Potency	uM	22.387	MEN1	-	GI(Protien) :
PubChem	Potency	uM	31.623	MEN1	-	GI(Protien) :
ChEMBL	Activity	-		CCR2	-	Target : CHEMBL4015
ChEMBL	Activity	-		CCR2	-	Target : CHEMBL4015
ChEMBL	Activity	-		CXCR4	-	Target : CHEMBL2107
ChEMBL	Activity	-		CXCR4	-	Target : CHEMBL2107
ChEMBL	Activity	-		CXCR4	-	Target : CHEMBL2107
ChEMBL	Inhibition	-		CXCR4	-	Target : CHEMBL2107
ChEMBL	Potency	nM	31622.800	KMT2A	-	Target : CHEMBL2093861
ChEMBL	Potency	nM	22387.200	KMT2A	-	Target : CHEMBL2093861
ChEMBL	Potency	nM	31622.800	MEN1	-	Target : CHEMBL2093861
ChEMBL	Potency	nM	22387.200	MEN1	-	Target : CHEMBL2093861

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