Tan Lab | DSigDB

Gene Set: D1 - Approved - SAQUINAVIR

Collection

D1 : Approved

Chemical Name

SAQUINAVIR

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
670.841 g/mol	5	11	4.9033	False(2/4)

Structure

InChI

InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26?,27?,30-,31-,32-,33+/m0/s1

InChIKey

QWAXKHKRTORLEM-LINFGICFSA-N

Links

Gene (14 / 16)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		ALB		GI(Protien) :
PubChem	Potency	uM	35.481	ATXN2	-	GI(Protien) :
PubChem	IC50	uM	17.522	AVPR1A	-	GI(Protien) :
PubChem	Ki	uM	0.650	CYP3A4		GI(Protien) :
PubChem	IC50	uM	15.366	DRD3	-	GI(Protien) :
PubChem	Potency	uM	20.596	IDH1	-	GI(Protien) :
PubChem		uM		IL1B	-	GI(Protien) :
PubChem		uM		MRGPRX1	-	GI(Protien) :
PubChem	IC50	uM	28.168	OPRD1	-	GI(Protien) :
PubChem	IC50	uM	6.951	OPRK1	-	GI(Protien) :
PubChem	IC50	uM	9.625	OPRM1	-	GI(Protien) :
PubChem	IC50	uM	35.097	SLC6A3	-	GI(Protien) :
PubChem	IC50	uM	6.214	TACR2	-	GI(Protien) :
PubChem	IC50	uM	2.182	TBXAS1	-	GI(Protien) :
ChEMBL	Potency	nM	35481.300	ATXN2	-	Target : CHEMBL1795085
ChEMBL	Potency	nM	20596.200	IDH1	-	Target : CHEMBL2007625

Download gene sets

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