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Compound Detail

CHEMBL3263565

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Cn1cccc1/C=C1\Oc2cc(O)cc(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3263565
Phase Preclinical
Structure Type MOL
InChI Key PTJFAWSTZIPSDP-XGICHPGQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.2
MW (Da)
2.05
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.77
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 C14H11NO4
MW 257.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
24835816 10.1016/j.ejmech.2014.04.005 Unchecked 2

Data from ChEMBL 36 via Core Engine