Tan Lab | DSigDB

Gene Set: D4 : Boss - parathion-methyl solution

Collection

D4 : Boss

Chemical Name

parathion-methyl solution ( From PubChem : METHYL PARATHION )

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
263.207 g/mol	0	4	3.6647	True

Structure

InChI

InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3

InChIKey

Links

Gene (11 / 21)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			AATF
BOSS	Text Mining			ACHE
BOSS	Text Mining			PALLD
BOSS	Text Mining			PON2
PubChem	AhR Potency (uM)	uM	34.376	AHR	-	GI(Protien) :
PubChem	Potency	uM	19.953	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.607	ESR1	-	GI(Protien) :
PubChem	Potency	uM	2.909	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.805	TDP1	-	GI(Protien) :
PubChem	Potency	uM	3.981	THRB	-	GI(Protien) :
PubChem	Potency	uM	14.125	THRB	-	GI(Protien) :
PubChem	Potency	uM	25.119	THRB	-	GI(Protien) :
PubChem	Potency	uM	31.623	THRB	-	GI(Protien) :
PubChem	Potency	uM	15.849	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	19952.600	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	3981.100	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	25118.900	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	31622.800	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	14125.400	THRB	-	Target : CHEMBL1947
ChEMBL	Potency	nM	3981.100	THRB	-	Target : CHEMBL1947

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