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Compound Detail

CHEMBL5425527

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CC(C)c1ccc(Oc2ccc3cc(C(=O)NS(=O)(=O)c4ccc(Cl)cc4Cl)[nH]c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5425527
Phase Preclinical
Structure Type MOL
InChI Key BPPNACVSRVFADT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
6.51
ALogP
4
HBA
2
HBD
88.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20Cl2N2O4S
MW 503.41
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.16

Activity Summary

Kd 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine