Tan Lab | DSigDB

Gene Set: D1 - Approved - NIMODIPINE

Collection

D1 : Approved

Chemical Name

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 (18 / 27)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem		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		uM		CACNA1C	-	GI(Protien) :
PubChem		uM		CACNA1D	-	GI(Protien) :
PubChem		uM		CACNA1F	-	GI(Protien) :
PubChem		uM		CACNA1S	-	GI(Protien) :
PubChem	IC50	uM	1.736	CNR1	-	GI(Protien) :
PubChem	IC50	uM	4.000	CYP2C19	-	GI(Protien) :
PubChem	IC50	uM	1.000	CYP2C9	-	GI(Protien) :
PubChem	IC50	uM	8.960	NR1H4		GI(Protien) :
PubChem		uM		NR1H4		GI(Protien) :
PubChem		uM		NR1H4		GI(Protien) :
PubChem		uM		NR1H4	-	GI(Protien) :
PubChem	EC50	uM	0.390	NR1I2		GI(Protien) :
PubChem		uM		NR3C1	-	GI(Protien) :
PubChem		uM		NR3C2		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		uM		WHSC1	-	GI(Protien) :
ChEMBL	Potency	nM	11577.400	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Potency	nM	11582.100	ATAD5	-	Target : CHEMBL1741209
ChEMBL	Inhibition	-		NR1H4	-	Target : CHEMBL2047
ChEMBL	Activity	-		NR1H4	-	Target : CHEMBL2047

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