acompound

Showing entry for n.a

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045402
Compound Name	n.a
Structure
Formula	C22H24N2O5
InchiKey	MVVOGBRCQSCYJN-QWWWVCEYSA-N
SMILES	CC(=O)OC1C2C3C[C@H]4C5=[N+](c6c([C@@]15C[C@@H]2N4(=O)[C@H]([C@@H]3C(=O)[O-])C)cccc6)C
Inchi	InChI=1S/C22H24N2O5/c1-10-17(21(26)27)12-8-15-19-22(13-6-4-5-7-14(13)23(19)3)9-16(24(10,15)28)18(12)20(22)29-11(2)25/h4-7,10,12,15-18,20H,8-9H2,1-3H3/t10-,12?,15-,16-,17-,18?,20?,22+,24?/m0/s1
IUPAC
Molecular Weight	396.17
Pubchem Id	118719271
Chembl Id	CHEMBL3351040

Targets of Information Source

DrugBank

n.a

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

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

n.a

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

CHEMBL

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	94	%
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	Inhibition	'<'	0	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	45	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02452	Alstonia yunnanensis	Alstonia yunnanensis	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}