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Compound Detail

CHEMBL4095610

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O=C(NN1C(=O)C=CC1=O)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4095610
Phase Preclinical
Structure Type MOL
InChI Key HEGVDGXYWWAENX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
-0.04
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8N2O4
MW 232.19
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
28427813 10.1016/j.bmcl.2017.04.020 Rattus norvegicus 9
28427813 10.1016/j.bmcl.2017.04.020 Prostaglandin G/H synthase 1 1
28427813 10.1016/j.bmcl.2017.04.020 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine