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Compound Detail

CHEMBL60628

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Basic Information

ChEMBL ID CHEMBL60628
Phase Preclinical
Structure Type MOL
InChI Key JUIKUQOUMZUFQT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

138.0
MW (Da)
-0.13
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C2H4BrNO
MW 137.96
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness -0.38

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
7009869 10.1021/jm00134a012 Unchecked 6
7009869 10.1021/jm00134a012 Alcohol dehydrogenase 4
7009869 10.1021/jm00134a012 Mus musculus 3
7009869 10.1021/jm00134a012 Rattus norvegicus 2
2939242 10.1021/jm00155a005 Alcohol dehydrogenase 1
2939242 10.1021/jm00155a005 No relevant target 1
3882967 10.1021/jm00381a013 No relevant target 1

Data from ChEMBL 36 via Core Engine