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Compound Detail

CHEMBL38519

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CC(=O)NC1CC2(CCN(C)CC2)OC1C

Basic Information

ChEMBL ID CHEMBL38519
Phase Preclinical
Structure Type MOL
InChI Key PLBXTZUSCKEVEQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
0.76
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.72
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 C12H22N2O2
MW 226.32
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.33

Activity Summary

Ki 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.52 5.52 3030.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 3030.0 nM 5.52 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