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Compound Detail

CHEMBL403157

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N[C@@H]1C[C@@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL403157
Phase Preclinical
Structure Type MOL
InChI Key LHKAUBTWBDZARW-STHAYSLISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

101.1
MW (Da)
-0.58
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.46
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 C4H7NO2
MW 101.11
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 0.97

Activity Summary

EC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-aminobutyric acid receptor subunit rho-1
CHEMBL3561
EC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17981464 10.1016/j.bmcl.2007.10.019 Gamma-aminobutyric acid receptor subunit rho-1 1

Data from ChEMBL 36 via Core Engine