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Compound Detail

CHEMBL420596

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

Basic Information

ChEMBL ID CHEMBL420596
Phase Preclinical
Structure Type MOL
InChI Key DSQVQJMNJPHULB-LVZFUZTISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
3.48
ALogP
4
HBA
1
HBD
53.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H35N3O2
MW 337.51
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness -0.23

Activity Summary

Ki 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
Ki 5.05 5.05 9000.0 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