Tan Lab | DSigDB

Gene Set: D4 : CTD - Nimodipine

Collection

D4 : CTD

Chemical Name

Nimodipine ( From PubChem : NIMODIPINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
418.44 g/mol	1	6	3.8228	True

Structure

InChI

InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3/t19-/m0/s1

InChIKey

Links

Gene (16 / 23)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			BAX		D009553
CTD	decreases(expression)			BCL2		D009553
CTD	increases(activity)			CASP3		D009553
CTD	increases(reaction)			CASP3		D009553
CTD	increases(activity)			CASP7		D009553
CTD	increases(reaction)			CASP7		D009553
CTD	increases(metabolic processing)			CYP3A		D009553
CTD	increases(expression)			FOS		D009553
CTD	increases(activity)			NR1I2		D009553
PubChem	None	uM		ADAM10	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	1.679	AHR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	24.850	AR	-	GI(Protien) :
PubChem	Potency	uM	11.577	ATAD5	-	GI(Protien) :
PubChem	Potency	uM	11.582	ATAD5	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	2.060	PARK2	-	GI(Protien) :
PubChem	Potency	uM	14.963	TDP1	-	GI(Protien) :
PubChem	Potency	uM	25.460	TDP1	-	GI(Protien) :
PubChem	None	uM		WHSC1	-	GI(Protien) :
ChEMBL	Potency	nM	11577.400	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Inhibition	-		NR1H4	-	Target : CHEMBL2047
ChEMBL	Activity	-		NR1H4	-	Target : CHEMBL2047

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