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Compound Detail

CHEMBL170070

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Basic Information

ChEMBL ID CHEMBL170070
Phase Preclinical
Structure Type MOL
InChI Key JYTYEGKJKIXWOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

118.1
MW (Da)
0.09
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.55
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 C5H10O3
MW 118.13
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness 1.34

Literature References

PubMed DOI Target Context # Activities
33848153 10.1021/acs.jmedchem.1c00124 Unchecked 2
3361576 10.1021/jm00400a001 Gamma-hydroxybutyrate receptor 1

Data from ChEMBL 36 via Core Engine