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Compound Detail

CHEMBL4565597

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O=C(O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4565597
Phase Preclinical
Structure Type MOL
InChI Key MDNVIERJIAHIIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.89
ALogP
2
HBA
2
HBD
70.2
PSA (Ų)
0.75
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 C16H11NO3
MW 265.27
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
31419740 10.1016/j.ejmech.2019.111584 NCI-H1975 1

Data from ChEMBL 36 via Core Engine