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Compound Detail

CHEMBL5558044

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Cc1c(C(=O)Oc2ccc(CN[C@@H](CO)C(=O)O)c(OCc3cccc(C#N)c3)c2)cccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558044
Phase Preclinical
Structure Type MOL
InChI Key YKBVSHBBFUNEQL-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
4.87
ALogP
7
HBA
3
HBD
128.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28N2O6
MW 536.58
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.68

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