Tan Lab | DSigDB

Gene Set: D4 : CTD - Mibefradil

Collection

D4 : CTD

Chemical Name

Mibefradil ( From PubChem : MIBEFRADIL )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
495.629 g/mol	1	5	5.2709	False(3/4)

Structure

InChI

InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1

InChIKey

HBNPJJILLOYFJU-VMPREFPWSA-N

Links

Gene (14 / 32)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(activity)			ABCB11		D020748
CTD	decreases(reaction)			AGT		D020748
CTD	increases(abundance)			AGT		D020748
CTD	increases(expression)			AGT		D020748
CTD	increases(uptake)			AGT		D020748
CTD	affects(response to substance)			CACNA1G		D020748
CTD	decreases(reaction)			CACNA1H		D020748
CTD	increases(transport)			CACNA1H		D020748
CTD	decreases(reaction)			CYP11B2		D020748
CTD	increases(expression)			CYP11B2		D020748
CTD	decreases(activity)			CYP3A4		D020748
CTD	decreases(reaction)			KCNH2		D020748
CTD	increases(transport)			KCNH2		D020748
PubChem	Potency	uM	18.349	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	15.849	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	19.953	ATXN2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	19.953	MAPK1	-	GI(Protien) :
PubChem	Potency	uM	10.399	MTOR	-	GI(Protien) :
PubChem	Potency	uM	12.589	THPO	-	GI(Protien) :
ChEMBL	Potency	nM	18348.900	ATAD5	-	Target : CHEMBL1741209
ChEMBL	AC50	nM	316.230	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	316.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	316.230	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	316.200	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	19952.600	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	10399.200	MTOR	-	Target : CHEMBL2842
ChEMBL	Potency	nM	12589.300	THPO	-	Target : CHEMBL1293256

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