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Compound Detail

CHEMBL5414313

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Cc1c(COc2cc(O)c(C=O)cc2Cl)cccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5414313
Phase Preclinical
Structure Type MOL
InChI Key XKSHWTCHRPCQIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
5.41
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClO3
MW 352.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
38442487 10.1021/acs.jmedchem.3c02342 No relevant target 1
38442487 10.1021/acs.jmedchem.3c02342 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine