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Compound Detail

CHEMBL491261

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COc1cccc(/N=C/c2coc3ccccc3c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491261
Phase Preclinical
Structure Type MOL
InChI Key ICUSIEPLKJDRDL-VCHYOVAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.55
ALogP
4
HBA
0
HBD
51.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NO3
MW 279.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
20576329 10.1016/j.ejmech.2010.05.065 NON-PROTEIN TARGET 2
19329330 10.1016/j.bmc.2009.03.020 Thymidine phosphorylase 1

Data from ChEMBL 36 via Core Engine