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Compound Detail

CHEMBL40803

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CCOC(=O)N/N=C1/CC2(CCN(C)CC2)OC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40803
Phase Preclinical
Structure Type MOL
InChI Key KZTKEVGGCCRCCQ-KAMYIIQDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
1.36
ALogP
5
HBA
1
HBD
63.2
PSA (Ų)
0.77
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 C13H23N3O3
MW 269.34
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness -0.39

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 400.0 nM 6.4 Binding affinity against muscarinic acetylcholine receptor from rat brain crude ... 7739014

Literature References

PubMed DOI Target Context # Activities
7739014 10.1021/jm00009a016 Muscarinic acetylcholine receptor 1
7739014 10.1021/jm00009a016 Unchecked 1

Data from ChEMBL 36 via Core Engine