Tan Lab | DSigDB

Gene Set: D4 : TTD - Loperamide

Collection

D4 : TTD

Chemical Name

Loperamide ( From PubChem : LOPERAMIDE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
477.038 g/mol	1	4	5.0259	False(3/4)

Structure

InChI

InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3

InChIKey

RDOIQAHITMMDAJ-UHFFFAOYSA-N

Links

Gene (12 / 33)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Drug(s)			OPRD1		Successful target
PubChem	Potency-Replicate_1	uM	26.603	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	CYP19A1	-	GI(Protien) :
PubChem	Potency	uM	0.016	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	25.119	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	13.092	MTOR	-	GI(Protien) :
PubChem	Potency	uM	18.493	MTOR	-	GI(Protien) :
PubChem	None	uM		PDE4B	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	6.684	TDP1	-	GI(Protien) :
PubChem	Potency	uM	8.414	TDP1	-	GI(Protien) :
PubChem	Potency	uM	9.726	TDP1	-	GI(Protien) :
PubChem	Potency	uM	9.726	TDP1	-	GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
PubChem	Potency	uM	31.623	TP53	-	GI(Protien) :
PubChem	Potency	uM	1.259	TSHR	-	GI(Protien) :
ChEMBL	AC50	nM	15.850	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	10000.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	25118.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	25118.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	10000.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	13091.800	MTOR	-	Target : CHEMBL2842
ChEMBL	Potency	nM	18492.700	MTOR	-	Target : CHEMBL2842
ChEMBL	Activity	-		TEK	-	Target : CHEMBL4128
ChEMBL	Activity	-		TEK	-	Target : CHEMBL4128
ChEMBL	Potency	nM	31622.800	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	1258.900	TSHR	-	Target : CHEMBL1963

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