acompound

Showing entry for tubulosine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0037442
Compound Name	tubulosine
Structure
Formula	C29H37N3O3
InchiKey	JRVWIILYWSBUMC-PRUVNFMMSA-N
SMILES	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1c2cc(cc1)O)cc(c(c3)OC)OC
Inchi	InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1
IUPAC	(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Molecular Weight	475.28
Pubchem Id	72341
Chembl Id	CHEMBL518568

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
P29597	BXGT009367	Non-receptor tyrosine-protein kinase TYK2	reviewed	Kinase	TYK2	Inhibition	'='	25	%
O60674	BXGT004892	Tyrosine-protein kinase JAK2	reviewed	Kinase	JAK2	Inhibition	'='	25	%
P23458	BXGT008868	Tyrosine-protein kinase JAK1	reviewed	Kinase	JAK1	Inhibition	'='	25	%
P52333	BXGT010928	Tyrosine-protein kinase JAK3	reviewed	Kinase	JAK3	Inhibition	'='	25	%
P29597	BXGT009367	Non-receptor tyrosine-protein kinase TYK2	reviewed	Kinase	TYK2	Inhibition	'>'	65	%
O60674	BXGT004892	Tyrosine-protein kinase JAK2	reviewed	Kinase	JAK2	Inhibition	'>'	65	%
P23458	BXGT008868	Tyrosine-protein kinase JAK1	reviewed	Kinase	JAK1	Inhibition	'>'	65	%
P52333	BXGT010928	Tyrosine-protein kinase JAK3	reviewed	Kinase	JAK3	Inhibition	'>'	65	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'>'	200	ug.mL-1
P53778	BXGT011013	Mitogen-activated protein kinase 12	reviewed	Kinase	MAPK12	Inhibition	'='	25	%
Q16539	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	Inhibition	'='	25	%
Q15759	BXGT013595	Mitogen-activated protein kinase 11	reviewed	Kinase	MAPK11	Inhibition	'='	25	%
O15264	BXGT004144	Mitogen-activated protein kinase 13	reviewed	Kinase	MAPK13	Inhibition	'='	25	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04334	Carapichea ipecacuanha	Carapichea ipecacuanha	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}