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Compound Detail

CHEMBL3038235

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Cl.Cl.NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1.NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1.[Zn+2]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3038235
Phase Preclinical
Structure Type MOL
InChI Key ROVHTULICYNRBQ-ZYTRTLBJSA-N
Parent Compound CHEMBL196608
Active Moiety CHEMBL196608
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.19
ALogP
5
HBA
1
HBD
102.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H26Cl2N4O8S2Zn+2
MW 795.01
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 1 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 2 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 9 1
15908204 10.1016/j.bmcl.2005.04.055 Carbonic anhydrase 12 1

Data from ChEMBL 36 via Core Engine