Tan Lab | DSigDB

Gene Set: D4 : TTD - CHLORPYRIFOS

Collection

D4 : TTD

Chemical Name

CHLORPYRIFOS ( From PubChem : CHLORPYRIFOS )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
350.586 g/mol	0	5	5.3687	False(3/4)

Structure

InChI

InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

InChIKey

Links

Gene (9 / 19)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ACHE		Successful target
PubChem	AhR Potency (uM)	uM	9.689	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	10.871	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	26.842	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	27.362	AHR	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	None	uM		KCNK3	-	GI(Protien) :
PubChem	Potency	uM	27.306	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	30.638	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	34.376	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	37.578	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	54.483	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	29.935	PLK1	-	GI(Protien) :
PubChem	Active Concentration	uM	20.000	PTGER2	-	GI(Protien) :
PubChem	None	uM		PTGER2	-	GI(Protien) :
PubChem	None	uM		PTGER2	-	GI(Protien) :
PubChem	Potency	uM	31.623	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	50118.700	TDP1	-	Target : CHEMBL1075138

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