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Compound Detail

CHEMBL4639895

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Cc1c(COc2cc(OCc3cccc(C#N)c3)c(CN3CC(C)(O)C3)cc2Cl)cccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4639895
Phase Preclinical
Structure Type MOL
InChI Key YGGBSWIMQWYPRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

539.1
MW (Da)
6.91
ALogP
5
HBA
1
HBD
65.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31ClN2O3
MW 539.08
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
32667799 10.1021/acs.jmedchem.0c00574 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine