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Compound Detail

CHEMBL5278534

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CCN1CCN(CC(O)COc2cc3ccc(=O)oc3c3c2OC(C)(C)C=C3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278534
Phase Preclinical
Structure Type MOL
InChI Key SZAZXATUTDGCQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
2.35
ALogP
7
HBA
1
HBD
75.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N2O5
MW 414.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.82

Literature References

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

Data from ChEMBL 36 via Core Engine