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Compound Detail

CHEMBL4741430

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N[C@H]1C=C(C(=O)O)C[C@@H]1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4741430
Phase Preclinical
Structure Type MOL
InChI Key YPJWGPZLYRDOAE-WHFBIAKZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.0
MW (Da)
0.49
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H8BrNO2
MW 206.04
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.55

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
33062178 10.1021/acsmedchemlett.9b00672 4-aminobutyrate aminotransferase, mitochondrial 4

Data from ChEMBL 36 via Core Engine