Tan Lab | DSigDB

Gene Set: D1 - Approved - SERTRALINE HYDROCHLORIDE

Collection

D1 : Approved

Chemical Name

SERTRALINE HYDROCHLORIDE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
342.691 g/mol	2	1	6.3725	False(3/4)

Structure

InChI

InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1

InChIKey

Links

Gene (15 / 22)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		ADRB2	-	GI(Protien) :
PubChem	Potency	uM	29.849	AR	-	GI(Protien) :
PubChem	Potency	uM	28.184	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP3A4	-	GI(Protien) :
PubChem		uM		DRD1	-	GI(Protien) :
PubChem		uM		DRD1	-	GI(Protien) :
PubChem	Potency	uM	7.308	IDH1	-	GI(Protien) :
PubChem		uM		MAP4K2	-	GI(Protien) :
PubChem		uM		OXTR	-	GI(Protien) :
PubChem		uM		PPARG	-	GI(Protien) :
PubChem		uM		SLC6A4	-	GI(Protien) :
PubChem		uM		TAAR1	-	GI(Protien) :
PubChem	Potency	uM	14.963	TDP1	-	GI(Protien) :
PubChem	Potency	uM	14.963	TDP1	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem		uM		UBE2N	-	GI(Protien) :
ChEMBL	Potency	nM	28183.800	ATXN2	-	Target : CHEMBL1795085
ChEMBL	Potency	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7307.800	IDH1	-	Target : CHEMBL2007625
ChEMBL	Potency	nM	10000.000	KCNH2	-	Target : CHEMBL240
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	12589.300	TP53	-	Target : CHEMBL4096

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