acompound

Showing entry for 4-[(1R)-1-Hydroxy-2-(Methylamino)Ethyl]Phenol

General Compound Information
BXGC Id	BXGC0012731
Compound Name	4-[(1R)-1-Hydroxy-2-(Methylamino)Ethyl]Phenol
Structure
Formula	C9H13NO2
InchiKey	YRCWQPVGYLYSOX-VIFPVBQESA-N
SMILES	CNC[C@@H](c1ccc(cc1)O)O
Inchi	InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
IUPAC	4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
Molecular Weight	167.09
Pubchem Id	854067
Chembl Id	CHEMBL443893

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

50292375

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	BXGT006636	Beta-2 adrenergic receptor	reviewed	G-protein coupled receptor	ADRB2	>10000	-	-	-

CHEMBL

CHEMBL443893

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
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	10000	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	AC50	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	AC50	-	-	-
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	AC50	-	-	-
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	12589	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Potency	'='	158	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	39810	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	Potency	'='	631	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	AC50	-	-	-
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	AC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00056	Mandarin orange (Clementine, Tangerine)	Citrus reticulata	Fruits
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00165	Common sage	Salvia officinalis	Herbs and Spices
BXGF00871	Citrus unshiu	Citrus unshiu	Medicinal Plant
BXGF01966	Chromolaena odorata	Chromolaena odorata	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02237	Citrus wilsonii	Citrus wilsonii	Medicinal Plant
BXGF02592	Ilex affinis	Ilex affinis	Human Edible Plant
BXGF02635	Ephedra sinica	Ephedra sinica	Medicinal Plant
BXGF02667	Anaxagorea clavata	Anaxagorea clavata	Others
BXGF03144	Stenostomum lucidum	Stenostomum lucidum	Others
BXGF03147	Beyeria brevifolia	Beyeria brevifolia	Others
BXGF03282	Ephedra intermedia	Ephedra intermedia	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03421	Kaempferia pulchra	Kaempferia pulchra	Medicinal Plant
BXGF03534	Drosera peltata	Drosera peltata	Medicinal Plant
BXGF03712	Arnica nevadensis	Arnica nevadensis	Others
BXGF03745	Odixia angusta	Odixia angusta	Others
BXGF03760	Prunus laurocerasus	Prunus laurocerasus	Medicinal Plant
BXGF03812	Ficus formosana	Ficus formosana	Human Edible Plant
BXGF03843	Dipterocarpus alatus	Dipterocarpus alatus	Medicinal Plant
BXGF03864	Echinops amplexicaulis	Echinops amplexicaulis	Medicinal Plant
BXGF03873	Quercus aegilops	Quercus aegilops	Medicinal Plant
BXGF03883	Chloranthus tianmushanensis	Chloranthus tianmushanensis	Others
BXGF03897	Prosopis glandulosa	Prosopis glandulosa	Human Edible Plant
BXGF03916	Aria pallescens	Aria pallescens	Others
BXGF03926	Simira eliezeriana	Simira eliezeriana	Others
BXGF03939	Senecio squalidus	Senecio squalidus	Medicinal Plant
BXGF03951	Araujia sericifera	Araujia sericifera	Medicinal Plant
BXGF03966	Artemisia monogyna	Artemisia monogyna	Others
BXGF03986	Epaltes gariepina	Epaltes gariepina	Others
BXGF03991	Seriphidium cinum	Seriphidium cinum	Medicinal Plant
BXGF04002	Dendrosenecio kilimanjari	Dendrosenecio kilimanjari	Others
BXGF04009	Isodon kameba	Isodon kameba	Medicinal Plant
BXGF04016	Pterocarpus grandiflorus	Pterocarpus grandiflorus	Others
BXGF04030	Chromolaena pulchella	Chromolaena pulchella	Others
BXGF04041	Bursaria spinosa	Bursaria spinosa	Human Edible Plant
BXGF04054	Taxodium mucronatum	Taxodium mucronatum	Medicinal Plant
BXGF04066	Gardenia fosbergii	Gardenia fosbergii	Others
BXGF04073	Vitex madiensis	Vitex madiensis	Medicinal Plant
BXGF04144	Agnorhiza bolanderi	Agnorhiza bolanderi	Others
BXGF04564	Ephedra equisetina	Ephedra equisetina	Medicinal Plant
BXGF04708	Sesbania punicea	Sesbania punicea	Others
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05704	Securidaca inappendiculata	Securidaca inappendiculata	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05843	Pteris prolifera	Pteris prolifera	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}