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Compound Detail

CHEMBL5274178

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O=C(Nc1cc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)ccc1Cl)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5274178
Phase Preclinical
Structure Type MOL
InChI Key RCKQOXLFNCMHQC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

538.8
MW (Da)
5.69
ALogP
4
HBA
2
HBD
95.6
PSA (Ų)
0.44
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18Cl3N3O4S
MW 538.84
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -2.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36332550 10.1016/j.ejmech.2022.114867 Unchecked 1

Data from ChEMBL 36 via Core Engine