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Compound Detail

CHEMBL5271449

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CC1(C)C=Cc2c(c(OCC(O)CN3CCCCC3)cc3ccc(=O)oc23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5271449
Phase Preclinical
Structure Type MOL
InChI Key AQGSAMIHLXRSDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
3.20
ALogP
6
HBA
1
HBD
72.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO5
MW 385.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.04

Literature References

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

Data from ChEMBL 36 via Core Engine