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Compound Detail

CHEMBL248772

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COc1cccc(/C=C/c2ccc3c(C(=O)O)cccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248772
Phase Preclinical
Structure Type MOL
InChI Key OHQNVJGUHQWJPY-CMDGGOBGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
4.11
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.79
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 C19H15NO3
MW 305.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.54

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17904844 10.1016/j.bmcl.2007.09.040 P388 1
17904844 10.1016/j.bmcl.2007.09.040 SK-N-MC 1
17904844 10.1016/j.bmcl.2007.09.040 No relevant target 1

Data from ChEMBL 36 via Core Engine