acompound

Showing entry for (1R)-2-[(2R,6S)-6-[(2S)-2-Hydroxy-2-Phenylethyl]-1-Methylpiperidin-2-Yl]-1-Phenylethanol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0049005
Compound Name	(1R)-2-[(2R,6S)-6-[(2S)-2-Hydroxy-2-Phenylethyl]-1-Methylpiperidin-2-Yl]-1-Phenylethanol
Structure
Formula	C22H29NO2
InchiKey	OWGJQNXIWMMDTH-COPRSSIGSA-N
SMILES	O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)C[C@H](c1ccccc1)O
Inchi	InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+
IUPAC	(1R)-2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanol
Molecular Weight	339.22
Pubchem Id	442646
Chembl Id	CHEMBL122676

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
Q05941	BXGT012847	Neuronal acetylcholine receptor subunit alpha-7	reviewed	-	Chrna7	Ki	'='	300	nM
P20420	BXGT008572	Neuronal acetylcholine receptor subunit alpha-5	reviewed	-	Chrna5	Ki	'='	300	nM
P43143	BXGT010361	Neuronal acetylcholine receptor subunit alpha-6	reviewed	-	Chrna6	Ki	'='	300	nM
P12391	BXGT007811	Neuronal acetylcholine receptor subunit beta-3	reviewed	-	Chrnb3	Ki	'='	300	nM
Q9JLB5	BXGT020832	Neuronal acetylcholine receptor subunit alpha-10	reviewed	-	Chrna10	Ki	'='	300	nM
P43144	BXGT010362	Neuronal acetylcholine receptor subunit alpha-9	reviewed	-	Chrna9	Ki	'='	300	nM
P12392	BXGT007812	Neuronal acetylcholine receptor subunit beta-4	reviewed	-	Chrnb4	Ki	'='	300	nM
P12390	BXGT007810	Neuronal acetylcholine receptor subunit beta-2	reviewed	-	Chrnb2	Ki	'='	300	nM
P12389	BXGT007809	Neuronal acetylcholine receptor subunit alpha-2	reviewed	-	Chrna2	Ki	'='	300	nM
P09483	BXGT006896	Neuronal acetylcholine receptor subunit alpha-4	reviewed	-	Chrna4	Ki	'='	300	nM
P04757	BXGT006258	Neuronal acetylcholine receptor subunit alpha-3	reviewed	-	Chrna3	Ki	'='	300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01878	Lobelia chinensis	Lobelia chinensis	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}