acompound

Showing entry for Combretastatin A-2

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030357
Compound Name	Combretastatin A-2
Structure
Formula	C17H16O5
InchiKey	YTVCXBVFGQEBAL-ARJAWSKDSA-N
SMILES	COc1ccc(cc1O)/C=C\c1cc(OC)c2c(c1)OCO2
Inchi	InChI=1S/C17H16O5/c1-19-14-6-5-11(7-13(14)18)3-4-12-8-15(20-2)17-16(9-12)21-10-22-17/h3-9,18H,10H2,1-2H3/b4-3-
IUPAC	2-methoxy-5-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol
Molecular Weight	300.1
Pubchem Id	11779540
Chembl Id	CHEMBL47037

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
P02550	BXGT005891	Tubulin alpha-1A chain	reviewed	-	TUBA1A	Inhibition	'='	92	%
P02550	BXGT005891	Tubulin alpha-1A chain	reviewed	-	TUBA1A	Inhibition	'='	79	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05037	combretum caffrum	combretum caffrum	Others

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}