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Compound Detail

CHEMBL5272618

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CN(C)CC(O)COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5272618
Phase Preclinical
Structure Type MOL
InChI Key JTOHTNNGWCTLLZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.28
ALogP
6
HBA
1
HBD
72.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO5
MW 345.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.35

Literature References

PubMed DOI Target Context # Activities
37149230 10.1016/j.bmcl.2023.129311 Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine