Tan Lab | DSigDB

Gene Set: D4 : TTD - Miconazole

Collection

D4 : TTD

Chemical Name

Miconazole ( From PubChem : MICONAZOLE )

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
416.129 g/mol	0	3	6.4548	False(3/4)

Structure

InChI

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

InChIKey

Links

Gene (16 / 34)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CYP51A1		Successful target
TTD	Drug(s)			CYP51A1		Successful target
PubChem	AhR Potency (uM)	uM	12.265	AHR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.167	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.025	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	1.000	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.501	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		HCRTR1	-	GI(Protien) :
PubChem	None	uM		HCRTR1	-	GI(Protien) :
PubChem	AC50_uM	uM	0.195	HSP90AA1	-	GI(Protien) :
PubChem	Potency	uM	23.109	IDH1	-	GI(Protien) :
PubChem	None	uM		KCNK3	-	GI(Protien) :
PubChem	Potency	uM	14.581	TDP1	-	GI(Protien) :
PubChem	Potency	uM	79.433	VDR	-	GI(Protien) :
ChEMBL	AC50	nM	1258.930	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	25.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	25.120	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	316.230	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	316.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	1000.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1000.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	501.190	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	501.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	39810.700	KDM4A	-	Target : CHEMBL5896

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