Tan Lab | DSigDB

Gene Set: D4 : TTD - GBR-12935

Collection

D4 : TTD

Chemical Name

GBR-12935 ( From PubChem : GBR 12935 )

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
414.582 g/mol	0	3	4.9188	True

Structure

InChI

InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2

InChIKey

Links

Gene (10 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			AGTR1		Successful target
PubChem	Potency	uM	25.119	ALOX15	-	GI(Protien) :
PubChem	Potency	uM	0.008	CBX1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	25.119	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	10.000	EHMT2	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	3.264	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.173	TDP1	-	GI(Protien) :
PubChem	Potency	uM	6.684	TDP1	-	GI(Protien) :
PubChem	Potency	uM	6.684	TDP1	-	GI(Protien) :
PubChem	Potency	uM	31.623	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	25118.900	ALOX15	-	Target : CHEMBL2903
ChEMBL	Potency	nM	8.400	CBX1	-	Target : CHEMBL1741193
ChEMBL	AC50	nM	25118.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	25118.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	316.230	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	2511.890	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	2511.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	316.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	10000.000	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	31622.800	TP53	-	Target : CHEMBL4096

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