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Compound Detail

CHEMBL4094661

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CCOC(=O)C1=C(N)n2c(=O)c3ccccc3c(=O)n2C1c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4094661
Phase Preclinical
Structure Type MOL
InChI Key GEPSQMOLZUCAAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
1.16
ALogP
8
HBA
2
HBD
116.5
PSA (Ų)
0.66
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 C20H17N3O5
MW 379.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.24

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