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Compound Detail

CHEMBL5270993

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CCOc1cccc(-c2cccc(-c3nc4c(s3)CNCC4)c2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5270993
Phase Preclinical
Structure Type MOL
InChI Key BZDXJXBXLBNYSG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
4.83
ALogP
4
HBA
1
HBD
34.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2OS
MW 350.49
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.02

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