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Compound Detail

CHEMBL1650274

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O=C(c1ccc(O)cc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650274
Phase Preclinical
Structure Type MOL
InChI Key HLRVUOFDBXRZBI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
2.76
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9FO2
MW 216.21
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21126022 10.1021/jm1010572 Dihydrofolate reductase 1
21126022 10.1021/jm1010572 Bifunctional dihydrofolate reductase-thymidylate synthase 1
21126022 10.1021/jm1010572 Pteridine reductase 1 1

Data from ChEMBL 36 via Core Engine