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Compound Detail

CHEMBL349570

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Basic Information

ChEMBL ID CHEMBL349570
Phase Preclinical
Structure Type MOL
InChI Key QVEMWYGBLHQEAK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

115.2
MW (Da)
0.91
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H13NO
MW 115.18
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness -0.17

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19877649 10.1021/jm901229s Mus musculus 16
19877649 10.1021/jm901229s Rattus norvegicus 2
2939242 10.1021/jm00155a005 Alcohol dehydrogenase 1
2939242 10.1021/jm00155a005 No relevant target 1

Data from ChEMBL 36 via Core Engine