Tan Lab | DSigDB

Gene Set: D4 : CTD - Cisapride

Collection

D4 : CTD

Chemical Name

Cisapride ( From PubChem : CISAPRIDE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
465.945 g/mol	2	7	4.2681	True

Structure

InChI

InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1

InChIKey

DCSUBABJRXZOMT-RBBKRZOGSA-N

Links

Gene (16 / 46)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(activity)			ABCB11		D020117
CTD	decreases(activity)			CYP2C9		D020117
CTD	decreases(reaction)			CYP3A4		D020117
CTD	increases(oxidation)			CYP3A4		D020117
CTD	decreases(activity)			CYP3A4		D020117
CTD	affects(chemical synthesis)			CYP3A4		D020117
CTD	affects(metabolic processing)			CYP3A4		D020117
CTD	decreases(activity)			KCNH2		D020117
CTD	decreases(reaction)			KCNH2		D020117
CTD	affects(localization)			KCNH2		D020117
CTD	affects(binding)			KCNH2		D020117
CTD	decreases(activity)			KCNH2		D020117
CTD	affects(binding)			KCNH2		D020117
CTD	decreases(reaction)			KCNH2		D020117
CTD	increases(transport)			KCNH2		D020117
CTD	decreases(activity)			KCNH2		D020117
CTD	increases(localization)			SCN5A		D020117
CTD	decreases(reaction)			SLC22A2		D020117
CTD	increases(uptake)			SLC22A2		D020117
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	None	uM		HTR4		GI(Protien) :
PubChem	None	uM		HTR4		GI(Protien) :
PubChem	None	uM		HTR4		GI(Protien) :
PubChem	None	uM		HTR4		GI(Protien) :
PubChem	None	uM		HTR4		GI(Protien) :
PubChem	None	uM		HTR4		GI(Protien) :
PubChem	Potency	uM	0.251	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		LYPLA2	-	GI(Protien) :
PubChem	None	uM		LYPLA2	-	GI(Protien) :
PubChem	None	uM		PREPL	-	GI(Protien) :
PubChem	None	uM		PREPL	-	GI(Protien) :
PubChem	None	uM		UBE2N	-	GI(Protien) :
PubChem	None	uM		UBE2N	-	GI(Protien) :
ChEMBL	Activity	-		KCNH2	-	Target : CHEMBL240
ChEMBL	Activity	-		KCNH2	-	Target : CHEMBL240
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	251.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	251.190	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		HPSE	-	Target : CHEMBL3921
ChEMBL	Activity	-		HPSE	-	Target : CHEMBL3921

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