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Compound Detail

CHEMBL5404514

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O=C(NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1cc2cc(Oc3ccc(Cl)cn3)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5404514
Phase Preclinical
Structure Type MOL
InChI Key VWIDUNAHRBYXFL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

502.8
MW (Da)
5.50
ALogP
6
HBA
2
HBD
101.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H10Cl3N3O4S2
MW 502.79
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.58

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
37736168 10.1021/acsmedchemlett.3c00261 Galectin-3 1
37736168 10.1021/acsmedchemlett.3c00261 Galectin-8 1

Data from ChEMBL 36 via Core Engine