acompound

Showing entry for neoechinulin A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043239
Compound Name	neoechinulin A
Structure
Formula	C19H21N3O2
InchiKey	MYRPIYZIAHOECW-SAIXKJTDSA-N
SMILES	C=CC(c1[nH]c2c(c1/C=C/1\N=C(O)[C@@H](N=C1O)C)cccc2)(C)C
Inchi	InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1
IUPAC	(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Molecular Weight	323.16
Pubchem Id	9996305
Chembl Id	CHEMBL400768

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
B4URE7	BXGT002145	Hemagglutinin	unreviewed	-	HA	Activity	'='	26	-
B4URE7	BXGT002145	Hemagglutinin	unreviewed	-	HA	Activity	'='	12	-
B4URE7	BXGT002145	Hemagglutinin	unreviewed	-	HA	Kd	'='	98000	nM
B4URE7	BXGT002145	Hemagglutinin	unreviewed	-	HA	Activity	'='	1	-
B4URE7	BXGT002145	Hemagglutinin	unreviewed	-	HA	Activity	'='	4	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01654	Plumbago zeylanica	Plumbago zeylanica	Medicinal Plant
BXGF02731	Saussurea involucrata	Saussurea involucrata	Medicinal Plant
BXGF02815	Pinellia ternata	Pinellia ternata	Medicinal Plant
BXGF04679	Bridelia ferruginea	Bridelia ferruginea	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}