Tan Lab | DSigDB

Gene Set: D4 : CTD - captax

Collection

D4 : CTD

Chemical Name

captax ( From PubChem : 2-MERCAPTOBENZOTHIAZOLE )

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
167.251 g/mol	1	2	2.9589	True

Structure

InChI

InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

InChIKey

YXIWHUQXZSMYRE-UHFFFAOYSA-N

Links

Gene (47 / 64)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(activity)			AKR1C2		C005563
CTD	increases(expression)			AKR1C2		C005563
CTD	increases(expression)			AMPD3		C005563
CTD	increases(expression)			ATF3		C005563
CTD	decreases(expression)			CCL2		C005563
CTD	increases(secretion)			CCL4		C005563
CTD	increases(expression)			CCR2		C005563
CTD	increases(expression)			CCR5		C005563
CTD	increases(expression)			CD86		C005563
CTD	decreases(expression)			CREB1		C005563
CTD	increases(expression)			CXCL1		C005563
CTD	increases(expression)			CXCL8		C005563
CTD	increases(expression)			CYP1A1		C005563
CTD	increases(expression)			DNAJB4		C005563
CTD	increases(expression)			ENPP2		C005563
CTD	increases(expression)			FTH1		C005563
CTD	increases(expression)			FTL		C005563
CTD	increases(expression)			GCLC		C005563
CTD	increases(expression)			GCLM		C005563
CTD	increases(expression)			HMOX1		C005563
CTD	increases(expression)			HSPA6		C005563
CTD	increases(expression)			IL7R		C005563
CTD	increases(expression)			MMP9		C005563
CTD	increases(expression)			MYC		C005563
CTD	affects(expression)			NFKB1		C005563
CTD	decreases(expression)			NOTCH3		C005563
CTD	increases(expression)			NQO1		C005563
CTD	increases(expression)			PMAIP1		C005563
CTD	increases(expression)			RGS1		C005563
CTD	increases(expression)			SEL1L3		C005563
CTD	increases(expression)			SLC7A11		C005563
CTD	increases(expression)			SQSTM1		C005563
CTD	decreases(expression)			SYNE2		C005563
CTD	decreases(expression)			TNF		C005563
CTD	decreases(expression)			TNNT2		C005563
CTD	increases(expression)			TRIM16L		C005563
CTD	increases(expression)			TXNRD1		C005563
PubChem	Potency-Replicate_1	uM	8.635	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	11.883	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	17.780	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	29.741	AHR	-	GI(Protien) :
PubChem	Potency	uM	8.912	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	10.000	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	11.220	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	11.220	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	14.125	HPGD	-	GI(Protien) :
PubChem	Potency	uM	25.119	HPGD	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	12.124	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	19.953	KAT2A	-	GI(Protien) :
PubChem	Potency	uM	27.306	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	33.813	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	37.578	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	26.832	PPARG	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	37.431	PPARG	-	GI(Protien) :
PubChem	Potency	uM	35.481	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	8912.500	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	11220.200	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	10000.000	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	11220.200	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	14125.400	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	25118.900	HPGD	-	Target : CHEMBL1293255
ChEMBL	Activity	-		IDO1	-	Target : CHEMBL4685
ChEMBL	Potency	nM	19952.600	KAT2A	-	Target : CHEMBL5501
ChEMBL	Potency	nM	19952.600	KDM4E	-	Target : CHEMBL1293226

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