Tan Lab | DSigDB

Gene Set: D4 : CTD - A 77636

Collection

D4 : CTD

Chemical Name

A 77636 ( From PubChem : A 77636 )

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
365.894 g/mol	4	4	4.7576	True

Structure

InChI

InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18?,20?;/m0./s1

InChIKey

BWHPNJVKFAPVOG-LXJUREGMSA-N

Links

Gene (15 / 32)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(localization)			DRD1		C079415
CTD	affects(binding)			DRD1		C079415
CTD	increases(activity)			DRD1		C079415
CTD	decreases(reaction)			DRD1		C079415
PubChem	None	uM		APAF1	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	Potency	uM	31.623	DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	15.849	EHMT2	-	GI(Protien) :
PubChem	None	uM		ERAP1	-	GI(Protien) :
PubChem	None	uM		GNA15	-	GI(Protien) :
PubChem	None	uM		GNA15	-	GI(Protien) :
PubChem	None	uM		HSP90AA1	-	GI(Protien) :
PubChem	None	uM		MLLT3	-	GI(Protien) :
PubChem	Potency	uM	19.953	MPHOSPH8	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	None	uM		RGS4	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	None	uM		TAAR1	-	GI(Protien) :
PubChem	Potency	uM	23.109	TDP1	-	GI(Protien) :
PubChem	None	uM		UBE2N	-	GI(Protien) :
PubChem	None	uM		UBE2N	-	GI(Protien) :
ChEMBL	Potency	nM	15848.900	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	22387.200	KDM4E	-	Target : CHEMBL1293226
ChEMBL	Potency	nM	19952.600	MPHOSPH8	-	Target : CHEMBL1741210

Download gene sets

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