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Compound Detail

CHEMBL5401636

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C#CCN(C)CCCOc1cc(N(CC)C(=O)c2cc(C(C)C)c(O)cc2O)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401636
Phase Preclinical
Structure Type MOL
InChI Key XKOLKLFUZDPLEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.0
MW (Da)
4.88
ALogP
5
HBA
2
HBD
73.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31ClN2O4
MW 458.99
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.14

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