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Compound Detail

CHEMBL2283222

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C/C(=N/NC(=O)c1cccc(N)c1)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2283222
Phase Preclinical
Structure Type MOL
InChI Key KCUIQJBKXIZIRW-ZDLGFXPLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.8
MW (Da)
3.08
ALogP
3
HBA
2
HBD
67.5
PSA (Ų)
0.52
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 C15H14ClN3O
MW 287.75
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
4-aminobutyrate aminotransferase, mitochondrial
CHEMBL3148
 IC50 6.5 6.5 320.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
4-aminobutyrate aminotransferase, mitochondrial IC50 = 320.0 nM 6.5 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