acompound

Showing entry for 2-[4-[(2R)-2-Hydroxy-3-(Propan-2-Ylamino)Propoxy]Phenyl]Acetamide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032834
Compound Name	2-[4-[(2R)-2-Hydroxy-3-(Propan-2-Ylamino)Propoxy]Phenyl]Acetamide
Structure
Formula	C14H22N2O3
InchiKey	METKIMKYRPQLGS-GFCCVEGCSA-N
SMILES	O[C@@H](COc1ccc(cc1)CC(=N)O)CNC(C)C
Inchi	InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
IUPAC	2-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Molecular Weight	266.16
Pubchem Id	180559
Chembl Id	CHEMBL1230004

Targets of Information Source

DrugBank

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
P02788	BXGT005963	Lactotransferrin	reviewed	Enzyme	LTF	experimental	-
Q9NZK7	BXGT021276	Group IIE secretory phospholipase A2	reviewed	Enzyme	PLA2G2E	experimental	-

PDB

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
P24627	BXGT008981	Lactotransferrin	reviewed	LTF	-	-	-	-	-
P59071	BXGT011259	Basic phospholipase A2 VRV-PL-VIIIa	reviewed		-	-	-	-	-

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
P00811	BXGT005666	Beta-lactamase	reviewed	-	ampC	Potency	'='	112201	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	28183	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	79432	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	44668	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF05627	Asarum sieboldii	Asarum sieboldii	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}