Tan Lab | DSigDB

Gene Set: D1 - Approved - ALOSETRON HYDROCHLORIDE

Collection

D1 : Approved

Chemical Name

ALOSETRON HYDROCHLORIDE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
330.812 g/mol	2	4	3.1482	True

Structure

InChI

InChI=1S/C17H18N4O.ClH/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2;/h3-6,10H,7-9H2,1-2H3,(H,18,19);1H

InChIKey

Links

Gene (7 / 19)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		ARNT	-	GI(Protien) :
PubChem	AC50_uM	uM	11.510	CASP6	-	GI(Protien) :
PubChem		uM		CASP6	-	GI(Protien) :
PubChem		uM		HTR3A	-	GI(Protien) :
PubChem	IC50	uM	7.100	SENP8	-	GI(Protien) :
PubChem	IC50	uM	18.200	SENP8	-	GI(Protien) :
PubChem		uM		SENP8	-	GI(Protien) :
PubChem		uM		SENP8	-	GI(Protien) :
PubChem	IC50	uM	1.699	SLC5A7	-	GI(Protien) :
PubChem	IC50	uM	1.826	SLC5A7	-	GI(Protien) :
PubChem		uM		SLC5A7	-	GI(Protien) :
PubChem		uM		SLC5A7	-	GI(Protien) :
PubChem		uM		SLC5A7	-	GI(Protien) :
PubChem		uM		TACC3	-	GI(Protien) :
PubChem	Potency	uM	35.481	USP1	-	GI(Protien) :
ChEMBL	IC50	nM	18200.000	SENP8	-	Target : CHEMBL1741207
ChEMBL	IC50	nM	7100.000	SENP8	-	Target : CHEMBL1741207
ChEMBL	IC50	nM	1699.420	SLC5A7	-	Target : CHEMBL4507
ChEMBL	IC50	nM	1825.630	SLC5A7	-	Target : CHEMBL4507

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