acompound

Showing entry for Oseltamivir

General Compound Information
BXGC Id	BXGC0044778
Compound Name	Oseltamivir
Structure
Formula	C16H28N2O4
InchiKey	VSZGPKBBMSAYNT-RRFJBIMHSA-N
SMILES	CCOC(=O)C1=C[C@H]([C@@H]([C@H](C1)N)N=C(O)C)OC(CC)CC
Inchi	InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
IUPAC	ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate
Molecular Weight	312.2
Pubchem Id	65028
Chembl Id	CHEMBL1229

Targets of Information Source

DrugBank

DB00198

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
P11485	BXGT007712	Neuraminidase	reviewed	-	NA	approved	inhibitor
Q99519	BXGT019928	Sialidase-1	reviewed	Enzyme	NEU1	approved	inhibitor
Q9Y3R4	BXGT022265	Sialidase-2	reviewed	Enzyme	NEU2	approved	inhibitor

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

5025

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT016611	Neuraminidase	reviewed		NA	-	<1	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	13	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	9	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	>3.1	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	20500	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	88200	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	1.4	-	-
reviewed	BXGT006080	Neuraminidase	reviewed		NA	-	2.6	-	-
reviewed	BXGT010860	Solute carrier family 15 member 1	reviewed		Slc15a1	-	18300000	-	-
reviewed	BXGT020819	Solute carrier family 15 member 1	reviewed		Slc15a1	-	10700000	-	-
reviewed	BXGT010500	Solute carrier family 15 member 1	reviewed	Transporter	SLC15A1	-	27400000	-	-
reviewed	BXGT021805	Sialidase-3	reviewed	Enzyme	NEU3	-	>10000000	-	-
reviewed	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	-	1300000	-	-

CHEMBL

CHEMBL1229

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	10400	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	24	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	16	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	5	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	20	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
P03474	BXGT006083	Neuraminidase	reviewed	-	NA	Ki	'='	1	nM
Q2LFS1	BXGT014124	Neuraminidase	unreviewed	-	NA	IC50	'='	4	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Ki	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
C4LRQ6	BXGT002470	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
P03469	BXGT006080	Neuraminidase	reviewed	-	NA	IC50	'='	20500	nM
Q9Y3R4	BXGT022265	Sialidase-2	reviewed	Enzyme	NEU2	Activity	-	-	-
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Km	'='	4200000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
P03431	BXGT006069	RNA-directed RNA polymerase catalytic subunit	reviewed	-	PB1	IC50	-	-	-
P03433	BXGT006070	Polymerase acidic protein	reviewed	-	PA	IC50	-	-	-
Q2LFS1	BXGT014124	Neuraminidase	unreviewed	-	NA	IC50	'='	3	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	12290	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Inhibition	-	-	-
Q2LFS1	BXGT014124	Neuraminidase	unreviewed	-	NA	Ki	'='	4	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	permeability	'='	38	nm/s
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	10	nM
Q9Y3R4	BXGT022265	Sialidase-2	reviewed	Enzyme	NEU2	Ki	-	-	-
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	IC50	'='	0	ug.mL-1
Q9Y3R4	BXGT022265	Sialidase-2	reviewed	Enzyme	NEU2	IC50	'>'	6000000	nM
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	IC50	'='	7	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Vmax	'='	8	pmol/s
Q9UQ49	BXGT021805	Sialidase-3	reviewed	Enzyme	NEU3	IC50	'>'	10000000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Ki	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	IC50	'<'	1	nM
Q6Q793	BXGT016493	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
Q75VQ4	BXGT016842	Neuraminidase	reviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	3235	nM
Q16348	BXGT013627	Solute carrier family 15 member 2	reviewed	Transporter	SLC15A2	Drug uptake	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	136	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	3	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	95220	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1060	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Ki	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
Q99519	BXGT019928	Sialidase-1	reviewed	Enzyme	NEU1	IC50	'>'	10000000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	ug.mL-1
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	50	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	4190	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	61100	nM
A5Z252	BXGT001379	Neuraminidase	unreviewed	-	NA	Inhibition	'='	91	%
P03469	BXGT006080	Neuraminidase	reviewed	-	NA	IC50	'='	2	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	pKm	'='	3	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	140	nM
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	Km	'='	177000	nM
P03474	BXGT006083	Neuraminidase	reviewed	-	NA	IC50	'='	5	nM
A5Z252	BXGT001379	Neuraminidase	unreviewed	-	NA	IC50	'='	10	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Inhibition	'='	84	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Inhibition	'='	51	%
A5Z252	BXGT001379	Neuraminidase	unreviewed	-	NA	Ki	'='	7	nM
Q6Q793	BXGT016493	Neuraminidase	unreviewed	-	NA	Ki	'='	0	nM
C4LRQ6	BXGT002470	Neuraminidase	unreviewed	-	NA	Ki	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Inhibition	'='	100	%
Q9UQ49	BXGT021805	Sialidase-3	reviewed	Enzyme	NEU3	Ki	-	-	-
P0DOF8	BXGT007513	Matrix protein 2	reviewed	-	M	EC50	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	79940	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	150	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	755	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Inhibition	'='	97	%
A5Z252	BXGT001379	Neuraminidase	unreviewed	-	NA	IC50	'='	210	nM
Q8WWR8	BXGT019004	Sialidase-4	reviewed	Enzyme	NEU4	IC50	'>'	10000000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	210	nM
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	Activity	'='	32	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	51540	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	IC50	'='	1300000	nM
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	IC50	'='	4071	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	800018	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Inhibition	'='	17	%
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	37	nM
Q99519	BXGT019928	Sialidase-1	reviewed	Enzyme	NEU1	IC50	'>'	500000	nM
Q6Q793	BXGT016493	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
Q9UQ49	BXGT021805	Sialidase-3	reviewed	Enzyme	NEU3	Inhibition	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	4	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	10340	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
P46059	BXGT010500	Solute carrier family 15 member 1	reviewed	Transporter	SLC15A1	Inhibition	-	-	-
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	80	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	3	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	0	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	8	nM
P03469	BXGT006080	Neuraminidase	reviewed	-	NA	IC50	'='	88200	nM
Q8WWR8	BXGT019004	Sialidase-4	reviewed	Enzyme	NEU4	IC50	'>'	500000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	1	nM
P03469	BXGT006080	Neuraminidase	reviewed	-	NA	IC50	'='	1	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	Inhibition	'='	99	%
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	IC50	'='	77	nM
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	Activity	'='	22	%
Q9UQ49	BXGT021805	Sialidase-3	reviewed	Enzyme	NEU3	IC50	'>'	500000	nM
Q9Y3R4	BXGT022265	Sialidase-2	reviewed	Enzyme	NEU2	IC50	'>'	500000	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	14	nM
C4LRQ6	BXGT002470	Neuraminidase	unreviewed	-	NA	IC50	'='	6095	nM
Q8WWR8	BXGT019004	Sialidase-4	reviewed	Enzyme	NEU4	Ki	-	-	-
Q99519	BXGT019928	Sialidase-1	reviewed	Enzyme	NEU1	Ki	-	-	-
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	Activity	'='	41	%
P03468	BXGT006079	Neuraminidase	reviewed	-	NA	Ki	'='	12100	nM
B4URF0	BXGT002146	Neuraminidase	unreviewed	-	NA	IC50	'='	2	nM
A5Z252	BXGT001379	Neuraminidase	unreviewed	-	NA	Inhibition	'='	95	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04978	Isatis indigotica	Isatis indigotica	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}