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Compound Detail

CHEMBL5283500

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CC1(C)C=Cc2c(c(OCC(O)CN3CCNCC3)cc3ccc(=O)oc23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5283500
Phase Preclinical
Structure Type MOL
InChI Key UERKIJHKKHXOMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
1.62
ALogP
7
HBA
2
HBD
84.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O5
MW 386.45
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 1.06

Literature References

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

Data from ChEMBL 36 via Core Engine