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Compound Detail

CHEMBL507316

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

Basic Information

ChEMBL ID CHEMBL507316
Phase Preclinical
Structure Type MOL
InChI Key QUFMERRXRMSAPZ-IUYQGCFVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

115.1
MW (Da)
-0.33
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.52
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 C5H9NO2
MW 115.13
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 0.81

Activity Summary

EC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-aminobutyric acid receptor subunit rho-1
CHEMBL3561
EC50 5.05 5.05 9000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18528996 10.1021/jm7015842 Gamma-aminobutyric acid receptor subunit rho-1 1

Data from ChEMBL 36 via Core Engine