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Compound Detail

CHEMBL296266

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Cc1cc(C)n(C(=O)c2ccccc2O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296266
Phase Preclinical
Structure Type MOL
InChI Key NYWVTNJMCOUPMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
1.89
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O2
MW 216.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
28427813 10.1016/j.bmcl.2017.04.020 Rattus norvegicus 9
6631920 10.1021/jm00365a023 Mus musculus 1
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