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Compound Detail

CHEMBL5429195

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Cc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(OCc3ccccc3)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429195
Phase Preclinical
Structure Type MOL
InChI Key PAVSBOKMCZPYFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
6.04
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21NO3
MW 419.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
36579489 10.1021/acs.jmedchem.2c01801 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine