Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4863908

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4863908
Phase Preclinical
Structure Type MOL
InChI Key PTAAPAYBINZFRK-WTKPLQERSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.7
MW (Da)
2.17
ALogP
5
HBA
2
HBD
94.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8ClNO5S
MW 313.72
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34826680 10.1016/j.bmc.2021.116518 Unchecked 1

Data from ChEMBL 36 via Core Engine