acompound

Showing entry for Allolaurinterol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014051
Compound Name	Allolaurinterol
Structure
Formula	C15H19BrO
InchiKey	MVAODKJBZLOXDH-XHDPSFHLSA-N
SMILES	C[C@]1(CCC(=C)[C@@H]1C)c1cc(Br)c(cc1O)C
Inchi	InChI=1S/C15H19BrO/c1-9-5-6-15(4,11(9)3)12-8-13(16)10(2)7-14(12)17/h7-8,11,17H,1,5-6H2,2-4H3/t11-,15+/m0/s1
IUPAC	4-bromo-2-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-5-methylphenol
Molecular Weight	294.06
Pubchem Id	470278
Chembl Id	CHEMBL4099907

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
P0DMV8	BXGT007509	Heat shock 70 kDa protein 1A	reviewed	-	HSPA1A	IC50	'>'	100000	nM
P60842	BXGT011330	Eukaryotic initiation factor 4A-I	reviewed	-	EIF4A1	Inhibition	-	-	-
P60842	BXGT011330	Eukaryotic initiation factor 4A-I	reviewed	-	EIF4A1	Kis	'='	3	uM
P10809	BXGT007617	60 kDa heat shock protein, mitochondrial	reviewed	-	HSPD1	IC50	'>'	100000	nM
O00571	BXGT003938	ATP-dependent RNA helicase DDX3X	reviewed	-	DDX3X	IC50	'>'	100000	nM
Q92841	BXGT019383	Probable ATP-dependent RNA helicase DDX17	reviewed	-	DDX17	IC50	'>'	100000	nM
P55072	BXGT011103	Transitional endoplasmic reticulum ATPase	reviewed	-	VCP	IC50	'>'	100000	nM
O00148	BXGT003884	ATP-dependent RNA helicase DDX39A	reviewed	-	DDX39A	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00955	Peucedanum graveolens	Peucedanum graveolens	Medicinal Plant
BXGF01331	Juniperus serawschanica	Juniperus serawschanica	Others
BXGF02078	Trifolium pannonicum	Trifolium pannonicum	Medicinal Plant
BXGF02789	Ladeania juncea	Ladeania juncea	Others
BXGF03624	Scutellaria glabra	Scutellaria glabra	Others
BXGF05485	Ligularia atroviolacea	Ligularia atroviolacea	Others
BXGF05695	Cymbidium aloifolium	Cymbidium aloifolium	Others
BXGF06100	Delphinium dictyocarpum	Delphinium dictyocarpum	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}