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Compound Detail

CHEMBL4443066

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O=C(c1cc(O)c(O)c(O)c1)c1c[nH]c2cccc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4443066
Phase Preclinical
Structure Type MOL
InChI Key HNVXQWCTTSWTAE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.2
MW (Da)
2.22
ALogP
5
HBA
5
HBD
113.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11NO5
MW 285.25
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
31302589 10.1016/j.ejmech.2019.06.066 NCI-H460 2
31302589 10.1016/j.ejmech.2019.06.066 Unchecked 2

Data from ChEMBL 36 via Core Engine