Tan Lab | DSigDB

Gene Set: D4 : CTD - benzyl isothiocyanate

Collection

D4 : CTD

Chemical Name

benzyl isothiocyanate ( From PubChem : BENZYL ISOTHIOCYANATE )

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
149.213 g/mol	0	2	2.2894	True

Structure

InChI

InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

InChIKey

Links

Gene (14 / 22)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			CDKN1A		C031403
CTD	increases(expression)			GADD45A		C031403
CTD	decreases(activity)			GSR		C031403
CTD	affects(reaction)			GSR		C031403
CTD	affects(metabolic processing)			GSTM1		C031403
CTD	affects(binding)			GSTP1		C031403
CTD	decreases(activity)			GSTP1		C031403
CTD	decreases(activity)			GSTP1		C031403
CTD	affects(metabolic processing)			GSTP1		C031403
CTD	decreases(reaction)			MMP7		C031403
CTD	increases(expression)			MMP7		C031403
CTD	increases(expression)			NDRG1		C031403
CTD	decreases(activity)			TXNRD1		C031403
CTD	affects(reaction)			TXNRD1		C031403
PubChem	Potency	uM	2.818	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	25.119	CYP3A4	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	29.474	HSPB1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.584	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	39.811	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	2818.400	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	25118.900	CYP3A4	-	Target : CHEMBL340

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