Tan Lab | DSigDB

Gene Set: D1 - Approved - AMPHOTERICIN B

Collection

D1 : Approved

Chemical Name

AMPHOTERICIN B

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
924.079 g/mol	12	18	1.412	False(1/4)

Structure

InChI

InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38?,40+,41-,42+,43+,44-,46-,47+/m0/s1

InChIKey

APKFDSVGJQXUKY-ZCGADPMASA-N

Links

Gene (9 / 17)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem	Ratio Potency (uM)	uM	61.131	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	54.954	NR1H4	-	GI(Protien) :
PubChem	Potency	uM	48.978	NR3C1	-	GI(Protien) :
PubChem		uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	42.163	TNF	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	31622.800	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	42163.200	TNF	-	Target : CHEMBL1825

Download gene sets

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