General Information of the Compound
Compound ID
CP0413708
Compound Name
5-(2-Ethyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
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Synonyms
Alvameline
Alvameline maleate
LU-25077
LU-25109
LU-31126
LU-32181
Lu-25109M
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Structure
Formula
C9H15N5
Molecular Weight
193.254
Canonical SMILES
CCn1nnc(n1)C1=CCCN(C)C1
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InChI
InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3
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InChIKey
RNMOMKCRCIRYCZ-UHFFFAOYSA-N
CAS
120241-31-8
Physicochemical Property
logP
0.4119
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
46.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
14

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 178030
SID: 15120834
ChEMBL ID
CHEMBL131428
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 296 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Alvameline )
Drug Name Alvameline
Company H Lundbeck A/S
Indication
Alzheimer disease
Terminated
Target(s)
Muscarinic acetylcholine receptor M3 (CHRM3)
Modulator
Muscarinic acetylcholine receptor M1 (CHRM1)
Modulator
Muscarinic acetylcholine receptor M2 (CHRM2)
Modulator