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Compound Detail

CHEMBL350757

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CO/N=C(\C#N)[C@H]1CN2CCC1C2

Basic Information

ChEMBL ID CHEMBL350757
Phase Preclinical
Structure Type MOL
InChI Key COFRKLYXCWVCKM-UHFGSYKHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

179.2
MW (Da)
0.46
ALogP
4
HBA
0
HBD
48.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13N3O
MW 179.22
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.28

Activity Summary

IC50 2 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 7.64 6.64 23.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80533-8 Muscarinic acetylcholine receptor 3

Data from ChEMBL 36 via Core Engine