Tan Lab | DSigDB

Gene Set: D4 : TTD - Clotrimazole

Collection

D4 : TTD

Chemical Name

Clotrimazole ( From PubChem : CLOTRIMAZOLE )

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
344.837 g/mol	0	2	5.3767	False(3/4)

Structure

InChI

InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H

InChIKey

VNFPBHJOKIVQEB-UHFFFAOYSA-N

Links

Gene (45 / 112)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CYP3A4		Successful target
TTD	Drug(s)			CYP3A4		Successful target
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	EC50_MICROM	uM	4.690	ADRB2	-	GI(Protien) :
PubChem	None	uM		ADRB2	-	GI(Protien) :
PubChem	None	uM		ADRB2	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	2.543	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	5.448	AHR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	11.359	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.455	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.801	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	15.956	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	24.337	AR	-	GI(Protien) :
PubChem	Potency	uM	25.119	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	22.387	BAZ2B	-	GI(Protien) :
PubChem	Potency	uM	0.008	CBX1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.522	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.859	CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	1.000	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.032	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.050	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.126	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	6.442	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	7.761	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.590	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	15.485	ESR1	-	GI(Protien) :
PubChem	Potency	uM	10.000	GLP1R	-	GI(Protien) :
PubChem	Potency	uM	14.319	GMNN	-	GI(Protien) :
PubChem	IC50	uM		GPR55	-	GI(Protien) :
PubChem	Potency	uM	5.012	HIF1A	-	GI(Protien) :
PubChem	AC50_uM	uM	0.195	HSP90AA1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	22.816	HSPB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	36.022	HSPB1	-	GI(Protien) :
PubChem	Potency	uM	11.220	KCNH2		GI(Protien) :
PubChem	Potency	uM	11.220	KCNH2		GI(Protien) :
PubChem	None	uM		KCNK3	-	GI(Protien) :
PubChem	None	uM		KCNK3	-	GI(Protien) :
PubChem	None	uM		KCNK9	-	GI(Protien) :
PubChem	None	uM		KCNQ1	-	GI(Protien) :
PubChem	Potency	uM	22.387	MAPK1	-	GI(Protien) :
PubChem	Potency	uM	25.119	MAPK1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.152	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.590	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	5.012	NPSR1	-	GI(Protien) :
PubChem	Potency	uM	7.943	NPSR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	48.966	NR1H4	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	7.228	NR3C1	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	48.966	PPARD	-	GI(Protien) :
PubChem	None	uM		PPARD	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	None	uM		PPP1CA	-	GI(Protien) :
PubChem	None	uM		SLC12A5	-	GI(Protien) :
PubChem	Potency	uM	6.513	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.052	TDP1	-	GI(Protien) :
PubChem	Potency	uM	10.137	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	20.596	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.589	THPO	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	Potency	uM	39.811	TSHR	-	GI(Protien) :
ChEMBL	Inhibition	-		AVPR2	-	Target : CHEMBL1790
ChEMBL	Inhibition	-		AVPR2	-	Target : CHEMBL1790
ChEMBL	Potency	nM	22387.200	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Potency	nM	8.400	CBX1	-	Target : CHEMBL1741193
ChEMBL	Activity	-		CDK1	-	Target : CHEMBL308
ChEMBL	Activity	-		CDK1	-	Target : CHEMBL308
ChEMBL	Activity	-		CFL1	-	Target : CHEMBL1075129
ChEMBL	AC50	nM	15848.900	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3981.070	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	10000.000	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	1000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	316.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	1000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	316.230	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	10000.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	10000.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	125.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	125.890	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	31.600	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	50.100	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	50.120	CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYTH2	-	Target : CHEMBL5995
ChEMBL	Potency	nM	5011.900	HIF1A	-	Target : CHEMBL4261
ChEMBL	Activity	-		JUN	-	Target : CHEMBL4977
ChEMBL	Potency	nM	28183.800	KDM4A	-	Target : CHEMBL5896
ChEMBL	Potency	nM	25118.900	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	22387.200	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	7943.300	NPSR1	-	Target : CHEMBL5162
ChEMBL	Potency	nM	5011.900	NPSR1	-	Target : CHEMBL5162
ChEMBL	Activity	-		NR1I3	-	Target : CHEMBL5503
ChEMBL	Activity	-		NR1I3	-	Target : CHEMBL5503
ChEMBL	Potency	nM	12589.300	THPO	-	Target : CHEMBL1293256
ChEMBL	Activity	-		TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	39810.700	TSHR	-	Target : CHEMBL1963

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