Tan Lab | DSigDB

Gene Set: D4 : CTD - Toluene 2,4-Diisocyanate

Collection

D4 : CTD

Chemical Name

Toluene 2,4-Diisocyanate ( From PubChem : 2,4-DIISOCYANATO-1-METHYLBENZENE )

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
174.156 g/mol	0	4	1.9296	True

Structure

InChI

InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3

InChIKey

DVKJHBMWWAPEIU-UHFFFAOYSA-N

Links

Gene (31 / 83)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			ALB		D014051
CTD	decreases(reaction)			ALB		D014051
CTD	increases(expression)			ALB		D014051
CTD	affects(binding)			ALB		D014051
CTD	decreases(reaction)			ALB		D014051
CTD	increases(expression)			ALB		D014051
CTD	affects(reaction)			ALB		D014051
CTD	affects(binding)			ALB		D014051
CTD	affects(reaction)			ALB		D014051
CTD	increases(expression)			ALB		D014051
CTD	affects(binding)			ALB		D014051
CTD	affects(binding)			ALB		D014051
CTD	increases(expression)			ALB		D014051
CTD	increases(phosphorylation)			ALB		D014051
CTD	affects(response to substance)			CCL5		D014051
CTD	affects(binding)			CCL5		D014051
CTD	decreases(reaction)			CCL5		D014051
CTD	increases(expression)			CCL5		D014051
CTD	affects(reaction)			CCL5		D014051
CTD	affects(binding)			CSF2		D014051
CTD	decreases(reaction)			CSF2		D014051
CTD	increases(expression)			CSF2		D014051
CTD	affects(reaction)			CSF2		D014051
CTD	affects(binding)			CXCL8		D014051
CTD	decreases(reaction)			CXCL8		D014051
CTD	increases(expression)			CXCL8		D014051
CTD	affects(binding)			CXCL8		D014051
CTD	affects(reaction)			CXCL8		D014051
CTD	increases(expression)			CXCL8		D014051
CTD	affects(binding)			CXCL8		D014051
CTD	affects(reaction)			CXCL8		D014051
CTD	increases(expression)			CXCL8		D014051
CTD	decreases(reaction)			CXCL8		D014051
CTD	affects(response to substance)			CYP1A1		D014051
CTD	affects(binding)			EGFR		D014051
CTD	affects(reaction)			EGFR		D014051
CTD	increases(expression)			EGFR		D014051
CTD	increases(response to substance)			GSTM1		D014051
CTD	affects(metabolic processing)			GSTP1		D014051
CTD	affects(response to substance)			GSTP1		D014051
CTD	affects(response to substance)			HLA-DQB1		D014051
CTD	increases(expression)			ICAM1		D014051
CTD	increases(secretion)			IL1A		D014051
CTD	affects(binding)			IL1B		D014051
CTD	affects(reaction)			IL1B		D014051
CTD	increases(expression)			IL1B		D014051
CTD	increases(secretion)			IL1B		D014051
CTD	decreases(reaction)			IL4		D014051
CTD	increases(secretion)			IL4		D014051
CTD	increases(expression)			IL4		D014051
CTD	increases(secretion)			IL6		D014051
CTD	affects(binding)			KRT14		D014051
CTD	increases(expression)			KRT14		D014051
CTD	affects(binding)			KRT19		D014051
CTD	increases(expression)			KRT19		D014051
CTD	affects(binding)			MAPK1		D014051
CTD	increases(phosphorylation)			MAPK1		D014051
CTD	decreases(reaction)			MAPK1		D014051
CTD	affects(binding)			MAPK3		D014051
CTD	increases(phosphorylation)			MAPK3		D014051
CTD	decreases(reaction)			MAPK3		D014051
CTD	decreases(expression)			MMP9		D014051
CTD	affects(response to substance)			NAT1		D014051
CTD	increases(response to substance)			NAT1		D014051
CTD	increases(response to substance)			NAT2		D014051
CTD	increases(expression)			NOS2		D014051
CTD	increases(expression)			NOS3		D014051
CTD	affects(response to substance)			SULT1A1		D014051
CTD	increases(activity)			TIMP1		D014051
CTD	increases(expression)			TIMP1		D014051
CTD	increases(expression)			TNF		D014051
CTD	increases(expression)			VEGFA		D014051
PubChem	Potency-Replicate_1	uM	1.084	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	8.609	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	19.077	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.956	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	28.924	AHR	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.816	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	36.632	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.316	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	37.119	NFE2L2	-	GI(Protien) :
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340

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