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Compound Detail

CHEMBL5404561

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O=C(Nc1ccc(C(=O)N(Cc2ccco2)C2CCCC2)cc1)N1Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5404561
Phase Preclinical
Structure Type MOL
InChI Key VIBRHTOLTGYSCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
5.41
ALogP
3
HBA
1
HBD
65.8
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N3O3
MW 429.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.79

Literature References

PubMed DOI Target Context # Activities
36787658 10.1016/j.ejmech.2023.115170 MIA PaCa-2 1

Data from ChEMBL 36 via Core Engine