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Compound Detail

CHEMBL167375

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CCCCOc1noc(C)c1C1=CCCN(C)C1

Basic Information

ChEMBL ID CHEMBL167375
Phase Preclinical
Structure Type MOL
InChI Key ZQZJOUMEMXCIBT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.88
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22N2O2
MW 250.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL1907609
IC50 6.12 6.12 759.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80536-3 Oryctolagus cuniculus 2
- 10.1016/S0960-894X(00)80536-3 Muscarinic acetylcholine receptor 1
- 10.1016/S0960-894X(00)80536-3 Muscarinic acetylcholine receptor M1 1

Data from ChEMBL 36 via Core Engine