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Compound Detail

CHEMBL186764

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COc1cc(OC)c(-c2noc(C)c2-c2ccccc2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186764
Phase Preclinical
Structure Type MOL
InChI Key GJFOCNRTTJWVLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.34
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO4
MW 325.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
15369392 10.1021/jm040782x Prostaglandin G/H synthase 1 1
15369392 10.1021/jm040782x Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine