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Compound Detail

CHEMBL1095074

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COc1cc(O)c(OC)c2c1c(=O)c1ccccc1n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095074
Phase Preclinical
Structure Type MOL
InChI Key IUSDGCPJUCVNHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.41
ALogP
5
HBA
1
HBD
60.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO4
MW 285.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.98

Literature References

PubMed DOI Target Context # Activities
20413315 10.1016/j.bmc.2010.03.040 A549 1
20413315 10.1016/j.bmc.2010.03.040 DLD-1 1
20413315 10.1016/j.bmc.2010.03.040 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine