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Compound Detail

CHEMBL5563480

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CCCCOc1ccc(-c2c(-c3ccc(OC)cc3)noc2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563480
Phase Preclinical
Structure Type MOL
InChI Key MCCXELVKSDZGTJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
5.50
ALogP
4
HBA
0
HBD
44.5
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO3
MW 337.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
38219659 10.1016/j.ejmech.2024.116135 Prostaglandin G/H synthase 1 2
38219659 10.1016/j.ejmech.2024.116135 Prostaglandin G/H synthase 2 2

Data from ChEMBL 36 via Core Engine