Tan Lab | DSigDB

Gene Set: D4 : Boss - anapsique

Collection

D4 : Boss

Chemical Name

anapsique ( From PubChem : AMITRIPTYLINE HYDROCHLORIDE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
313.864 g/mol	1	1	4.9706	True

Structure

InChI

InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H

InChIKey

Links

Gene (33 / 37)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			ATP8A2
BOSS	Text Mining			BDNF-AS
BOSS	Text Mining			CASP3
BOSS	Text Mining			CDT1
BOSS	Text Mining			CYGB
BOSS	Text Mining			CYP2C8
BOSS	Text Mining			DDR2
BOSS	Text Mining			FGF13
BOSS	Text Mining			GPX1
BOSS	Text Mining			GYPE
BOSS	Text Mining			HTR4
BOSS	Text Mining			IL6
BOSS	Text Mining			INS
BOSS	Text Mining			MAOB
BOSS	Text Mining			MAPK3
BOSS	Text Mining			MPO
BOSS	Text Mining			NGF
BOSS	Text Mining			P2RY2
BOSS	Text Mining			ROS1
BOSS	Text Mining			SLC22A2
BOSS	Text Mining			SLC7A1
BOSS	Text Mining			SMPD1
BOSS	Text Mining			TNF
PubChem	Potency	uM	17.783	ALDH1A1	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	61.131	AR	-	GI(Protien) :
PubChem	None	uM		CHRM1	-	GI(Protien) :
PubChem	None	uM		CHRM4	-	GI(Protien) :
PubChem	None	uM		CHRM5	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
PubChem	None	uM		DRD2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.350	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	54.948	ESR1	-	GI(Protien) :
PubChem	Potency	uM	15.849	KCNH2		GI(Protien) :
PubChem	Potency	uM	15.849	KCNH2		GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
PubChem	Potency	uM	26.609	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	17782.800	ALDH1A1	-	Target : CHEMBL3577

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