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Compound Detail

CHEMBL84278

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CC(=O)N(C)/N=C1\CC2(CCN(C)CC2)OC1C

Basic Information

ChEMBL ID CHEMBL84278
Phase Preclinical
Structure Type MOL
InChI Key GAWJTXLJIILYAH-WYMLVPIESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
1.09
ALogP
4
HBA
0
HBD
45.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H23N3O2
MW 253.35
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.02

Activity Summary

Ki 1 meas. best 4.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
Ki 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00471-4 Muscarinic acetylcholine receptor M1 2
- 10.1016/0960-894X(96)00471-4 No relevant target 1

Data from ChEMBL 36 via Core Engine