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Compound Detail

CHEMBL5558515

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COc1cc(OC(=O)c2cccc(-c3ccccc3)c2C)ccc1CN1CCCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558515
Phase Preclinical
Structure Type MOL
InChI Key FCGXXHYWLZODFZ-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
5.33
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO5
MW 459.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.55

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