acompound

Showing entry for homatropine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048924
Compound Name	homatropine
Structure
Formula	C16H21NO3
InchiKey	ZTVIKZXZYLEVOL-UHFFFAOYSA-N
SMILES	OC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C
Inchi	InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3
IUPAC	(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
Molecular Weight	275.15
Pubchem Id	3623
Chembl Id	CHEMBL1237117

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

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	BXGT006775	Muscarinic acetylcholine receptor M1	reviewed		Chrm1	41.69	-	-	-
reviewed	BXGT007641	Muscarinic acetylcholine receptor M2	reviewed		Chrm2	165.96	-	-	-
reviewed	BXGT006776	Muscarinic acetylcholine receptor M3	reviewed		Chrm3	58.88	-	-	-
reviewed	BXGT008290	Muscarinic acetylcholine receptor M4	reviewed		CHRM4	72.44	-	-	-

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
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	2667	nM
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	22387	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	5323	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices

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}