Tan Lab | DSigDB

Gene Set: D4 : TTD - CV-4093

Collection

D4 : TTD

Chemical Name

CV-4093 ( From PubChem : MANIDIPINE DIHYDROCHLORIDE )

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
683.621 g/mol	3	7	7.2848	False(2/4)

Structure

InChI

InChI=1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H

InChIKey

JINNGBXKBDUGQT-UHFFFAOYSA-N

Links

Gene (9 / 15)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CACNA1C		Successful target
TTD	Inhibitor			CACNA1D		Research target
PubChem	Ratio Potency (uM)	uM	10.280	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.448	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	23.710	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.333	CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	8.485	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.986	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	11.882	NR1H4	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		NR1H4	-	GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.438	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	4.732	TDP1	-	GI(Protien) :
PubChem	Potency	uM	6.684	TDP1	-	GI(Protien) :

Download gene sets

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