Tan Lab | DSigDB

Gene Set: D4 : Boss - viramune ir

Collection

D4 : Boss

Chemical Name

viramune ir ( From PubChem : NEVIRAPINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
266.298 g/mol	1	4	2.4783	True

Structure

InChI

InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)

InChIKey

Links

Gene (26 / 28)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			AGRP
BOSS	Text Mining			CD4
BOSS	Text Mining			CDT1
BOSS	Text Mining			CYGB
BOSS	Text Mining			CYP2B6
BOSS	Text Mining			CYP2C8
BOSS	Text Mining			HBB
BOSS	Text Mining			HLP
BOSS	Text Mining			HSD11B1
BOSS	Text Mining			INS
BOSS	Text Mining			MT4
BOSS	Text Mining			PLXNA3
BOSS	Text Mining			SLC17A5
BOSS	Text Mining			SLC52A2
BOSS	Text Mining			TAF8
PubChem	Potency	uM	6.513	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.200	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		ABCB1	-	Target : CHEMBL4302
ChEMBL	Activity	-		ABCB1	-	Target : CHEMBL4302
ChEMBL	Activity	-		ABCC1	-	Target : CHEMBL3004
ChEMBL	Activity	-		ABCC2	-	Target : CHEMBL5748
ChEMBL	Activity	-		ABCC3	-	Target : CHEMBL5918
ChEMBL	Inhibition	-		ABCG2	-	Target : CHEMBL5393
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340

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