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Compound Detail

CHEMBL4776997

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CCCc1nc2c(C(=O)OC)cccc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4776997
Phase Preclinical
Structure Type MOL
InChI Key JAKJDNODIONCHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
5.28
ALogP
6
HBA
0
HBD
70.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N2O4
MW 442.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
32272420 10.1016/j.ejmech.2020.112258 Unchecked 3
32272420 10.1016/j.ejmech.2020.112258 Peroxisome proliferator-activated receptor gamma 2
32272420 10.1016/j.ejmech.2020.112258 COS-7 2
32272420 10.1016/j.ejmech.2020.112258 Signal transducer and activator of transcription 5A 2

Data from ChEMBL 36 via Core Engine