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Compound Detail

CHEMBL5436927

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Cc1c(COc2cc(O)c(C=O)cc2Cl)cccc1-n1cccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5436927
Phase Preclinical
Structure Type MOL
InChI Key UTYQNUKKWBRLLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
4.54
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClNO3
MW 341.79
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.59

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