Tan Lab | DSigDB

Gene Set: D4 : TTD - ISOCONAZOLE

Collection

D4 : TTD

Chemical Name

ISOCONAZOLE ( From PubChem : ISOCONAZOLE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
416.129 g/mol	0	3	6.4548	False(3/4)

Structure

InChI

InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2/t18-/m0/s1

InChIKey

Links

Gene (12 / 18)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CYP17A1		Successful target
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency	uM	31.623	BAZ2B	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	10.123	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	7.943	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	4.611	GMNN	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	16.152	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	16.360	IDH1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.910	NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	10.590	NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.130	NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	29.847	PPARD	-	GI(Protien) :
PubChem	None	uM		PPP1CA	-	GI(Protien) :
PubChem	None	uM		PPP1CA	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
ChEMBL	Potency	nM	31622.800	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Potency	nM	7943.300	EHMT2	-	Target : CHEMBL6032

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