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Compound Detail

CHEMBL3322098

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COc1cccc(-c2cc(COc3ccc4oc(=O)ccc4c3)on2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322098
Phase Preclinical
Structure Type MOL
InChI Key VRPRDWCCFJFRDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.3
MW (Da)
4.04
ALogP
6
HBA
0
HBD
74.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15NO5
MW 349.34
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
25088398 10.1016/j.bmcl.2014.07.031 NON-PROTEIN TARGET 3
25088398 10.1016/j.bmcl.2014.07.031 COLO 205 1
25088398 10.1016/j.bmcl.2014.07.031 A549 1

Data from ChEMBL 36 via Core Engine