Tan Lab | DSigDB

Gene Set: D4 : TTD - Pyrrolidine dithiocarbamate

Collection

D4 : TTD

Chemical Name

Pyrrolidine dithiocarbamate ( From PubChem : PYRROLIDINE DITHIOCARBAMATE )

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
147.262 g/mol	1	3	1.2348	True

Structure

InChI

InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)

InChIKey

Links

Gene (11 / 21)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			RELA		Research target
ChEMBL	Potency	nM	354.800	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	44668.400	CBX1	-	Target : CHEMBL1741193
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	31622.800	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3981.070	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	3981.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	19952.600	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	1995.260	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	1995.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	19952.600	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	707.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	3981.100	HPGD	-	Target : CHEMBL1293255
ChEMBL	Potency	nM	251.200	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	1258.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	25118.900	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	4645.100	MTOR	-	Target : CHEMBL2842
ChEMBL	Potency	nM	2930.900	MTOR	-	Target : CHEMBL2842
ChEMBL	Potency	nM	2612.200	MTOR	-	Target : CHEMBL2842
ChEMBL	Inhibition	-		RELA	-	Target : CHEMBL5533
ChEMBL	Potency	nM	3981.100	THPO	-	Target : CHEMBL1293256

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