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Compound Detail

CHEMBL38540

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CN1CCC2(CC1)C/C(=N/O)CO2

Basic Information

ChEMBL ID CHEMBL38540
Phase Preclinical
Structure Type MOL
InChI Key LNOQZHINRSHPLF-NTMALXAHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
0.70
ALogP
4
HBA
1
HBD
45.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H16N2O2
MW 184.24
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.23

Activity Summary

Ki 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.72 6.72 190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 190.0 nM 6.72 Binding affinity against muscarinic acetylcholine receptor from rat brain crude ... 7739014

Literature References

PubMed DOI Target Context # Activities
7739014 10.1021/jm00009a016 Rattus norvegicus 1
7739014 10.1021/jm00009a016 Unchecked 1

Data from ChEMBL 36 via Core Engine