Tan Lab | DSigDB

Gene Set: D4 : TTD - Etomidate

Collection

D4 : TTD

Chemical Name

Etomidate ( From PubChem : ETOMIDATE )

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Not	Not	Approved	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
244.289 g/mol	0	4	2.6691	True

Structure

InChI

InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1

InChIKey

NPUKDXXFDDZOKR-LLVKDONJSA-N

Links

Gene (22 / 43)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			GABRA1		Successful target
TTD	Drug(s)			GABRA1		Successful target
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		GPR183	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	1.000	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.794	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		GPR183	-	GI(Protien) :
ChEMBL	AC50	nM	5011.870	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	1000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	1000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	5011.870	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	1000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	1000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		GABRA1	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRA2	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRA3	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRA4	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRA5	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRA6	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRB1	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRB2	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRB3	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRD	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRE	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRG1	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRG2	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRG3	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRP	-	Target : CHEMBL2093872
ChEMBL	Activity	-		GABRQ	-	Target : CHEMBL2093872
ChEMBL	AC50	nM	6309.570	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	794.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	794.330	CYP3A4	-	Target : CHEMBL340

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