Tan Lab | DSigDB

Gene Set: D1 - Approved - PENTAMIDINE

Collection

D1 : Approved

Chemical Name

PENTAMIDINE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
340.419 g/mol	4	6	4.4829	True

Structure

InChI

InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)

InChIKey

Links

Gene (17 / 20)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	1.375	ADRA2A	-	GI(Protien) :
PubChem	IC50	uM	1.425	CHRM2	-	GI(Protien) :
PubChem	IC50	uM	1.580	CHRM4	-	GI(Protien) :
PubChem	IC50	uM	2.885	CHRM5	-	GI(Protien) :
PubChem	IC50	uM	3.998	DRD3	-	GI(Protien) :
PubChem	IC50	uM	1.639	HTR2A	-	GI(Protien) :
PubChem	IC50	uM	3.278	HTR2C	-	GI(Protien) :
PubChem	IC50	uM	15.722	KCNH2	-	GI(Protien) :
PubChem	IC50	uM	0.793	MAOA	-	GI(Protien) :
PubChem	Kd	uM	1.000	S100B		GI(Protien) :
PubChem	IC50	uM	22.100	SLC22A1		GI(Protien) :
PubChem	IC50	uM	1.200	SLC22A2		GI(Protien) :
PubChem	IC50	uM	9.500	SLC22A3		GI(Protien) :
PubChem	IC50	uM	0.410	SLC47A1		GI(Protien) :
PubChem	IC50	uM	2.000	SLC47A1		GI(Protien) :
PubChem	IC50	uM	2.700	SLC47A1		GI(Protien) :
PubChem	IC50	uM	2.700	SLC47A2		GI(Protien) :
PubChem	IC50	uM	10.400	SLC47A2		GI(Protien) :
PubChem	IC50	uM	2.214	SLC6A2	-	GI(Protien) :
PubChem	IC50	uM	3.159	SLC6A3	-	GI(Protien) :

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