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Compound Detail

CHEMBL256608

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C[C@@H](CCN)C(=O)O

Basic Information

ChEMBL ID CHEMBL256608
Phase Preclinical
Structure Type MOL
InChI Key AEBRINKRALSWNY-BYPYZUCNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

117.2
MW (Da)
0.06
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H11NO2
MW 117.15
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 1.26

Activity Summary

EC50 1 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-aminobutyric acid receptor subunit rho-1
CHEMBL3561
EC50 4.19 4.19 65000.0 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