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Compound Detail

CHEMBL58562

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Basic Information

ChEMBL ID CHEMBL58562
Phase Preclinical
Structure Type MOL
InChI Key NQQRXZOPZBKCNF-NSCUHMNNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

85.1
MW (Da)
0.05
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C4H7NO
MW 85.11
Aromatic Rings 0
Heavy Atoms 6
NP-Likeness 0.72

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
2939242 10.1021/jm00155a005 Alcohol dehydrogenase 1
2939242 10.1021/jm00155a005 No relevant target 1

Data from ChEMBL 36 via Core Engine