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Compound Detail

CHEMBL3735177

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O=C(O)c1cccc(Cn2ccc3cc4c(cc3c2=O)OCO4)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3735177
Phase Preclinical
Structure Type MOL
InChI Key WPNDFFKLHKORQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
2.48
ALogP
5
HBA
1
HBD
77.8
PSA (Ų)
0.80
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 C18H13NO5
MW 323.30
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
26546216 10.1016/j.bmcl.2015.10.018 Molecular identity unknown 3

Data from ChEMBL 36 via Core Engine