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Compound Detail

CHEMBL167015

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C#CCCCO/N=C1\CN2CCC1C2

Basic Information

ChEMBL ID CHEMBL167015
Phase Preclinical
Structure Type MOL
InChI Key SAVOURASODXRSC-VAWYXSNFSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

192.3
MW (Da)
1.11
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N2O
MW 192.26
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.09

Activity Summary

IC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 6.96 6.96 111.0 1
Muscarinic receptor M1 and M2
CHEMBL2111433
IC50 5.44 5.44 3655.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80538-7 Muscarinic acetylcholine receptors; M1 & M2 2
- 10.1016/S0960-894X(00)80538-7 Muscarinic acetylcholine receptor 1
- 10.1016/S0960-894X(00)80538-7 Muscarinic receptor M1 and M2 1
- 10.1016/S0960-894X(00)80538-7 Muscarinic acetylcholine receptor M2 1
- 10.1016/S0960-894X(00)80538-7 Muscarinic acetylcholine receptor M1 1

Data from ChEMBL 36 via Core Engine