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Compound Detail

CHEMBL5279917

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Cc1c(-c2cccc(CC(N)=O)c2)cccc1-c1nc2c(s1)CNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5279917
Phase Preclinical
Structure Type MOL
InChI Key FLLVBMNADRRCSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
3.46
ALogP
4
HBA
2
HBD
68.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3OS
MW 363.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
36126447 10.1016/j.bmc.2022.117001 Programmed cell death protein 1/Programmed cell death 1 ligand 1 1

Data from ChEMBL 36 via Core Engine