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Compound Detail

CHEMBL5267808

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CC1(C)C=Cc2c(c(OCC(O)CN3CCOCC3)cc3ccc(=O)oc23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5267808
Phase Preclinical
Structure Type MOL
InChI Key FXXXRZFMRSTOTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
2.05
ALogP
7
HBA
1
HBD
81.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO6
MW 387.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.86

Literature References

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

Data from ChEMBL 36 via Core Engine