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Compound Detail

CHEMBL4856106

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CCCCCCC1CC(O)OO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4856106
Phase Preclinical
Structure Type MOL
InChI Key GFLHQYYHEFPKPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
2.00
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18O3
MW 174.24
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 2.08

Literature References

PubMed DOI Target Context # Activities
34116159 10.1016/j.bmcl.2021.128196 Leishmania donovani 2
34116159 10.1016/j.bmcl.2021.128196 ADMET 2
34116159 10.1016/j.bmcl.2021.128196 Candida albicans 1
34116159 10.1016/j.bmcl.2021.128196 Aspergillus fumigatus 1
34116159 10.1016/j.bmcl.2021.128196 Plasmodium falciparum 1
34116159 10.1016/j.bmcl.2021.128196 HUVEC 1

Data from ChEMBL 36 via Core Engine