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Compound Detail

CHEMBL5432996

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Cc1c(-c2ccccc2)cccc1N1C(=O)c2cc(Br)c(CN3CCOCC3)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5432996
Phase Preclinical
Structure Type MOL
InChI Key VLFGBKHJQBWLLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.4
MW (Da)
5.06
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23BrN2O3
MW 491.39
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.00

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