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Compound Detail

CHEMBL4638737

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COc1cc(OC)c2c(C(=O)O)nc3c(OC)cccc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4638737
Phase Preclinical
Structure Type MOL
InChI Key SXBOAJWKXNELAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
3.11
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO5
MW 313.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
32631520 10.1016/j.bmcl.2020.127300 Protein FosB 1
32631520 10.1016/j.bmcl.2020.127300 Protein fosB/Transcription factor jun-D 1

Data from ChEMBL 36 via Core Engine