Tan Lab | DSigDB

Gene Set: D4 : CTD - ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate

Collection

D4 : CTD

Chemical Name

ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate ( From PubChem : 4450-98-0 )

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
261.273 g/mol	1	5	1.3419	True

Structure

InChI

InChI=1S/C14H15NO4/c1-2-19-14(18)11-9-15(13(17)12(11)16)8-10-6-4-3-5-7-10/h3-7,16H,2,8-9H2,1H3

InChIKey

Links

Gene (7 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			AKR1B10		C067822
CTD	increases(reduction)			AKR1B10		C067822
CTD	decreases(activity)			AKR1B10		C067822
PubChem	Potency	uM	1.122	ATM	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
ChEMBL	Potency	nM	1122.000	ATM	-	Target : CHEMBL3797
ChEMBL	AC50	nM	1000.000	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	15848.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	15848.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	3981.070	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	3981.100	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	7079.500	KDM4E	-	Target : CHEMBL1293226

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