acompound

Showing entry for Combretastatin A-1

General Compound Information
BXGC Id	BXGC0051425
Compound Name	Combretastatin A-1
Structure
Formula	C18H20O6
InchiKey	YUSYSJSHVJULID-WAYWQWQTSA-N
SMILES	COc1cc(/C=C\c2ccc(c(c2O)O)OC)cc(c1OC)OC
Inchi	InChI=1S/C18H20O6/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10,19-20H,1-4H3/b6-5-
IUPAC	3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
Molecular Weight	332.13
Pubchem Id	5458993
Chembl Id	CHEMBL36255

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

50090044

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	BXGT005891	Tubulin alpha-1A chain	reviewed		TUBA1A	-	1100	-	-

CHEMBL

CHEMBL36255

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
P04786	BXGT006262	DNA topoisomerase 1	reviewed	-	TOP1	IC50	'='	1	ug.mL-1
P02550	BXGT005891	Tubulin alpha-1A chain	reviewed	-	TUBA1A	IC50	'='	3500	nM
P02554	BXGT005892	Tubulin beta chain	reviewed	-		IC50	'='	3500	nM
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	Inhibition	-	-	-
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Inhibition	-	-	-
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Inhibition	-	-	-
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Inhibition	-	-	-
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Inhibition	-	-	-
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Inhibition	-	-	-
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Inhibition	-	-	-
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Inhibition	-	-	-
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Inhibition	-	-	-
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Inhibition	-	-	-
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Inhibition	-	-	-
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Inhibition	-	-	-
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Inhibition	-	-	-
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Inhibition	-	-	-
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Inhibition	-	-	-
P32745	BXGT009663	Somatostatin receptor type 3	reviewed	G-protein coupled receptor	SSTR3	IC50	-	-	-
P30872	BXGT009474	Somatostatin receptor type 1	reviewed	G-protein coupled receptor	SSTR1	IC50	-	-	-
P31391	BXGT009535	Somatostatin receptor type 4	reviewed	G-protein coupled receptor	SSTR4	IC50	-	-	-
P30874	BXGT009475	Somatostatin receptor type 2	reviewed	G-protein coupled receptor	SSTR2	IC50	-	-	-
P35346	BXGT009813	Somatostatin receptor type 5	reviewed	G-protein coupled receptor	SSTR5	IC50	-	-	-
P02550	BXGT005891	Tubulin alpha-1A chain	reviewed	-	TUBA1A	IC50	'='	1100	nM
P02550	BXGT005891	Tubulin alpha-1A chain	reviewed	-	TUBA1A	Inhibition	'='	99	%
P04786	BXGT006262	DNA topoisomerase 1	reviewed	-	TOP1	IC50	'='	1	ug.mL-1

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}