Tan Lab | DSigDB

Gene Set: D4 : TTD - RS-17053

Collection

D4 : TTD

Chemical Name

RS-17053 ( From PubChem : RS-17053 )

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
412.952 g/mol	2	3	5.9907	False(3/4)

Structure

InChI

InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3

InChIKey

XLZHXAXXJVKTFM-UHFFFAOYSA-N

Links

Gene (9 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ADRA1A		Clinical trial target
PubChem	Potency	uM	12.589	ALOX15	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	1.995	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.100	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	39.811	MAPK1	-	GI(Protien) :
PubChem	Potency	uM	5.173	TDP1	-	GI(Protien) :
PubChem	Potency	uM	6.513	TDP1	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
PubChem	Potency	uM	26.609	TDP1	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	12589.300	ALOX15	-	Target : CHEMBL2903
ChEMBL	AC50	nM	12589.200	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	1995.260	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	1995.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	100.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	100.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	15848.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	39810.700	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096

Download gene sets

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