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Compound Detail

CHEMBL284115

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C/C(=C\CN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284115
Phase Preclinical
Structure Type MOL
InChI Key TVVRNFOZHWBSAV-DUXPYHPUSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

115.1
MW (Da)
-0.02
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.50
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 1.77

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10780899 10.1021/jm9904349 Gamma-aminobutyric acid receptor subunit rho-1 1
10780899 10.1021/jm9904349 Gamma-aminobutyric acid receptor subunit rho-2 1
18528996 10.1021/jm7015842 Gamma-aminobutyric acid receptor subunit rho-1 1

Data from ChEMBL 36 via Core Engine