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Compound Detail

CHEMBL234528

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COc1ccc(S(=O)(=O)N(CC(=O)O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL234528
Phase Preclinical
Structure Type MOL
InChI Key QOWJYYQWKAJRNZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
-0.22
ALogP
7
HBA
3
HBD
173.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O8S2
MW 485.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.23

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25462250 10.1016/j.ejmech.2014.10.009 Elastase 2
17251018 10.1016/j.bmcl.2006.12.107 Carbonic anhydrase 1 1
17251018 10.1016/j.bmcl.2006.12.107 Carbonic anhydrase 2 1
17251018 10.1016/j.bmcl.2006.12.107 Carbonic anhydrase 9 1
17251018 10.1016/j.bmcl.2006.12.107 Unchecked 1
25462250 10.1016/j.ejmech.2014.10.009 Unchecked 1

Data from ChEMBL 36 via Core Engine