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Compound Detail

CHEMBL5558479

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COc1cc(OC(=O)c2cccc(-c3ccccc3)c2C)ccc1CNCCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558479
Phase Preclinical
Structure Type MOL
InChI Key CTSYVIDKWDSMAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
4.36
ALogP
5
HBA
2
HBD
67.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO4
MW 405.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
38678826 10.1016/j.ejmech.2024.116433 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine