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Compound Detail

CHEMBL66576

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CCCOc1ccccc1C1(O)OC(=O)c2cccc3cccc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL66576
Phase Preclinical
Structure Type MOL
InChI Key FZSUSXIIKBESPF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.99
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18O4
MW 334.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.30

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
10377217 10.1021/jm9900016 Thymidylate synthase 5
10377217 10.1021/jm9900016 MT4 1
10377217 10.1021/jm9900016 Staphylococcus aureus 1
10377217 10.1021/jm9900016 Streptococcus 1
10377217 10.1021/jm9900016 Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine