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Compound Detail

CHEMBL2283225

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CCc1ccc2c(c1)/C(=N/c1cccc(C(=O)O)c1)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2283225
Phase Preclinical
Structure Type MOL
InChI Key WEJDWBALHUTSBL-DARPEHSRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
4.66
ALogP
3
HBA
1
HBD
66.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17NO3
MW 355.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
4-aminobutyrate aminotransferase, mitochondrial
CHEMBL3148
 IC50 5.92 5.92 1210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
4-aminobutyrate aminotransferase, mitochondrial IC50 = 1210.0 nM 5.92 Inhibition of Rattus norvegicus (rat) brain gamma-amino butyrate aminotransferas... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0023-0 4-aminobutyrate aminotransferase, mitochondrial 1

Data from ChEMBL 36 via Core Engine