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Compound Detail

CHEMBL5277374

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CC1(C)C=Cc2c(c(OCC(O)CNCc3ccccn3)cc3ccc(=O)oc23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5277374
Phase Preclinical
Structure Type MOL
InChI Key CSWGESPQGPZZEU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
2.90
ALogP
7
HBA
2
HBD
93.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O5
MW 408.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.64

Literature References

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

Data from ChEMBL 36 via Core Engine