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Compound Detail

CHEMBL345688

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O=C(O)c1cnc2cc(F)ccc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL345688
Phase Preclinical
Structure Type MOL
InChI Key FWIYSXZSVUTDIK-UHFFFAOYSA-N
0
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

207.2
MW (Da)
1.78
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6FNO3
MW 207.16
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.95

Activity Summary

IC50 7 meas.

Literature References

PubMed DOI Target Context # Activities
894670 10.1021/jm00218a003 Ehrlich 2
894670 10.1021/jm00218a003 Malate dehydrogenase, mitochondrial 2
7086823 10.1021/jm00343a011 Malate dehydrogenase, mitochondrial 1
7086823 10.1021/jm00343a011 Malate dehydrogenase, cytoplasmic 1
7086823 10.1021/jm00343a011 NON-PROTEIN TARGET 1
7086823 10.1021/jm00343a011 Ehrlich 1
35707152 10.1021/acsmedchemlett.2c00067 C-type lectin domain family 4 member M 1

Data from ChEMBL 36 via Core Engine