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Compound Detail

CHEMBL118992

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COc1c(O)cc(C(=O)O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118992
Phase Preclinical
Structure Type MOL
InChI Key UBXDWYFLYYJQFR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

184.2
MW (Da)
0.80
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H8O5
MW 184.15
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 1.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32639158 10.1021/acs.jnatprod.0c00395 Cryptococcus neoformans 2
3950915 10.1021/jm00153a009 Thiopurine S-methyltransferase 1
11076575 10.1021/np0000421 Radical scavenging activity 1
20813535 10.1016/j.bmc.2010.08.021 Telomerase reverse transcriptase 1
32639158 10.1021/acs.jnatprod.0c00395 Candida albicans 1

Data from ChEMBL 36 via Core Engine