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Compound Detail

CHEMBL131428

ALVAMELINE
🧪 Phase II
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🧪 Phase II
CCn1nnc(C2=CCCN(C)C2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131428
Name ALVAMELINE
Phase Phase II
Structure Type MOL
InChI Key RNMOMKCRCIRYCZ-UHFFFAOYSA-N

Known Names

Alvamelina Alvameline Lu 25-109
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
3
Known Names

Molecular Properties

193.2
MW (Da)
0.41
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -meline
USAN Year 2002

Extended Properties

Molecular Formula C9H15N5
MW 193.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.40

Activity Summary

Ki 4 meas. best 8.04
EC50 2 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
 Ki 8.04 6.96 9.2 3
Muscarinic acetylcholine receptor M1
CHEMBL276
 Ki 7.44 7.44 36.0 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 EC50 6.53 6.53 296.0 1
Muscarinic acetylcholine receptors; M2 & M3
CHEMBL2095187
 EC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor Ki = 9.2 nM 8.04 In vitro binding affinity for muscarinic receptor by displacing [3H]oxotremorine... 7990109
Muscarinic acetylcholine receptor M1 Ki = 36.0 nM 7.44 In vitro binding affinity for muscarinic M1 receptor by displacing [3H]pirenzepi... 7990109
Muscarinic acetylcholine receptor M2 EC50 = 296.0 nM 6.53 Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30... 26299349
Muscarinic acetylcholine receptor Ki = 340.0 nM 6.47 In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... 7990109
Muscarinic acetylcholine receptor Ki = 430.0 nM 6.37 In vitro binding affinity for muscarinic receptor by displacing [3H]quinuclidiny... 7990109
Muscarinic acetylcholine receptors; M2 & M3 EC50 = 3200.0 nM 5.5 M2/M3 agonist activity estimated by contraction of isolated guinea pig ileum 7990109

Literature References

PubMed DOI Target Context # Activities
7990109 10.1021/jm00050a006 Muscarinic acetylcholine receptor M2 4
7990109 10.1021/jm00050a006 Muscarinic acetylcholine receptor 3
7990109 10.1021/jm00050a006 Muscarinic acetylcholine receptor M1 2
7990109 10.1021/jm00050a006 Rattus norvegicus 2
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M2 2
7990109 10.1021/jm00050a006 Muscarinic acetylcholine receptors; M2 & M3 1
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M1 1
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M3 1
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M4 1
26299349 10.1016/j.bmcl.2015.08.011 Muscarinic acetylcholine receptor M5 1

Data from ChEMBL 36 via Core Engine