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Compound Detail

CHEMBL4465969

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COc1ccc(-c2c(-c3ccc(N)cc3)noc2CC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465969
Phase Preclinical
Structure Type MOL
InChI Key ABXQUPPLRQQTGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
3.23
ALogP
5
HBA
2
HBD
98.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O4
MW 324.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
30590258 10.1016/j.ejmech.2018.12.029 Prostaglandin G/H synthase 1 2
30590258 10.1016/j.ejmech.2018.12.029 Prostaglandin G/H synthase 2 2

Data from ChEMBL 36 via Core Engine