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Compound Detail

CHEMBL2431023

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O=C(O)CNS(=O)(=O)c1ccc(OCc2cc(Br)cc(Br)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2431023
Phase Preclinical
Structure Type MOL
InChI Key QXELZFZRJLTGNV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

479.1
MW (Da)
3.15
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13Br2NO5S
MW 479.15
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.10

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24044434 10.1021/jm4011753 Matrix metalloproteinase-14 1
24044434 10.1021/jm4011753 72 kDa type IV collagenase 1
24044434 10.1021/jm4011753 Interstitial collagenase 1
24044434 10.1021/jm4011753 Disintegrin and metalloproteinase domain-containing protein 17 1

Data from ChEMBL 36 via Core Engine