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Compound Detail

CHEMBL5407826

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C#CCN(C)CCCOc1cccc(N(C)C(=O)c2cc(C(C)C)c(O)cc2O)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407826
Phase Preclinical
Structure Type MOL
InChI Key IUMMVVVRIBUPMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.0
MW (Da)
4.49
ALogP
5
HBA
2
HBD
73.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29ClN2O4
MW 444.96
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
37172473 10.1016/j.ejmech.2023.115459 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine