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Compound Detail

CHEMBL5412378

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CCCNCC(O)COc1ccccc1C(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5412378
Phase Preclinical
Structure Type MOL
InChI Key FEFDOHQCEQWFQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.36
ALogP
4
HBA
3
HBD
70.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O3
MW 342.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
36868105 10.1016/j.ejmech.2023.115238 Unchecked 1

Data from ChEMBL 36 via Core Engine