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Compound Detail

CHEMBL1814437

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COc1cccc(OC)c1/C=C1\Oc2cccc(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814437
Phase Preclinical
Structure Type MOL
InChI Key ULJFSMZBRTUWFI-DHDCSXOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.03
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.88
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 C17H14O5
MW 298.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
21699179 10.1021/jm200242p Unchecked 2
21699179 10.1021/jm200242p Huh-7 1
21699179 10.1021/jm200242p HEK293 1
30665143 10.1016/j.ejmech.2019.01.022 Staphylococcus aureus 1
30665143 10.1016/j.ejmech.2019.01.022 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine