Tan Lab | DSigDB

Gene Set: D1 - Approved - EFAVIRENZ

Collection

D1 : Approved

Chemical Name

EFAVIRENZ

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
315.675 g/mol	1	3	4.2111	True

Structure

InChI

InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1

InChIKey

Links

Gene (14 / 30)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		ABCC1		GI(Protien) :
PubChem		uM		ABCC2		GI(Protien) :
PubChem		uM		ABCC3		GI(Protien) :
PubChem	Potency	uM	21.314	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	29.849	AR	-	GI(Protien) :
PubChem		uM		CACNA1H	-	GI(Protien) :
PubChem	Potency	uM	23.710	CYP19A1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	22.384	ESR1	-	GI(Protien) :
PubChem	Potency	uM	33.492	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	33.489	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	13.332	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	17.779	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	10.000	NPSR1	-	GI(Protien) :
PubChem	Potency	uM	23.915	NR3C1	-	GI(Protien) :
PubChem	Potency	uM	16.789	TDP1	-	GI(Protien) :
ChEMBL	Activity	-		ABCB1	-	Target : CHEMBL4302
ChEMBL	Inhibition	-		ABCB1	-	Target : CHEMBL4302
ChEMBL	Activity	-		ABCB1	-	Target : CHEMBL4302
ChEMBL	Activity	-		ABCC1	-	Target : CHEMBL3004
ChEMBL	Activity	-		ABCC1	-	Target : CHEMBL3004
ChEMBL	Activity	-		ABCC1	-	Target : CHEMBL3004
ChEMBL	Activity	-		ABCC2	-	Target : CHEMBL5748
ChEMBL	Activity	-		ABCC2	-	Target : CHEMBL5748
ChEMBL	Activity	-		ABCC3	-	Target : CHEMBL5918
ChEMBL	Activity	-		ABCC3	-	Target : CHEMBL5918
ChEMBL	Activity	-		ABCC3	-	Target : CHEMBL5918
ChEMBL	Activity	-		ABCG2	-	Target : CHEMBL5393
ChEMBL	Inhibition	-		ABCG2	-	Target : CHEMBL5393
ChEMBL	Activity	-		ABCG2	-	Target : CHEMBL5393
ChEMBL	Potency	nM	10000.000	NPSR1	-	Target : CHEMBL5162

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