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Compound Detail

CHEMBL5094119

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Cc1c(NC(=O)c2cccc(CNCCO)n2)cccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5094119
Phase Preclinical
Structure Type MOL
InChI Key FXKJPVDWOHOSSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.39
ALogP
4
HBA
3
HBD
74.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O2
MW 361.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
34610423 10.1016/j.bmcl.2021.128403 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine