Tan Lab | DSigDB

Gene Set: D1 - Approved - DILTIAZEM

Collection

D1 : Approved

Chemical Name

DILTIAZEM

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
414.518 g/mol	0	7	3.4335	True

Structure

InChI

InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1

InChIKey

HSUGRBWQSSZJOP-RTWAWAEBSA-N

Links

Gene (9 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	42.658	ABCB1		GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP2C19		GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem	Ki	uM	0.100	CYP3A4		GI(Protien) :
PubChem	IC50	uM	1.837	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP3A4	-	GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		CYP3A4	-	GI(Protien) :
PubChem	IC50	uM	17.300	KCNH2		GI(Protien) :
PubChem	IC50	uM	17.378	KCNH2		GI(Protien) :
PubChem	IC50	uM	17.378	KCNH2		GI(Protien) :
PubChem	IC50	uM	17.378	KCNH2		GI(Protien) :
PubChem	IC50	uM	17.378	KCNH2		GI(Protien) :
PubChem	IC50	uM	12.400	SLC22A1		GI(Protien) :
PubChem	Potency	uM	26.609	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	3981.100	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	3981.070	CYP3A4	-	Target : CHEMBL340

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