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Compound Detail

CHEMBL5279949

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

Basic Information

ChEMBL ID CHEMBL5279949
Phase Preclinical
Structure Type MOL
InChI Key VYIKVOUXLXHNNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
3.45
ALogP
6
HBA
1
HBD
72.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29NO5
MW 387.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.99

Literature References

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

Data from ChEMBL 36 via Core Engine