Tan Lab | DSigDB

Gene Set: D4 : TTD - NSC-172033

Collection

D4 : TTD

Chemical Name

NSC-172033 ( From PubChem : NSC172033 )

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
674.011 g/mol	4	4	10.7002	False(2/4)

Structure

InChI

InChI=1S/C26H14Cl8O4/c27-13-1-9(2-14(28)23(13)35)21(10-3-15(29)24(36)16(30)4-10)22(11-5-17(31)25(37)18(32)6-11)12-7-19(33)26(38)20(34)8-12/h1-8,21-22,35-38H

InChIKey

PGVJRDOIJQMGEF-UHFFFAOYSA-N

Links

Gene (9 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ALOX12		Research target
TTD	Inhibitor			ALOX15		Research target
TTD	Inhibitor			ALOX15B		Research target
PubChem	Potency	uM	3.981	ALOX15	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.100	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	None	uM		KCNH2	-	GI(Protien) :
PubChem	None	uM		PTGER2	-	GI(Protien) :
ChEMBL	Potency	nM	3981.100	ALOX15	-	Target : CHEMBL2903
ChEMBL	Potency	nM	3981.100	ALOX15B	-	Target : CHEMBL2457
ChEMBL	AC50	nM	794.330	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	2511.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	2511.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	100.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	100.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	3162.300	HSD17B10	-	Target : CHEMBL4159

Download gene sets

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