Compound Detail
CHEMBL430213
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Cc1ccc(S(=O)(=O)NC(=O)Oc2ccccc2/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL430213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDXSNYPINBZISE-PCLIKHOPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
2.78
ALogP
7
HBA
2
HBD
145.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.96 | 6.96 | 110.0 | 1 |
| Carbonic anhydrase 4 CHEMBL281 | Ki | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | Ki | = | 40.0 | nM | 7.4 | Inhibition of human carbonic anhydrase 1 | 17475500 |
| Carbonic anhydrase 2 | Ki | = | 110.0 | nM | 6.96 | Inhibition of human carbonic anhydrase 2 | 17475500 |
| Carbonic anhydrase 4 | Ki | = | 120.0 | nM | 6.92 | Inhibition of bovin carbonic anhydrase 4 | 17475500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17475500 | 10.1016/j.bmc.2007.04.020 | Carbonic anhydrase 1 | 1 |
| 17475500 | 10.1016/j.bmc.2007.04.020 | Carbonic anhydrase 2 | 1 |
| 17475500 | 10.1016/j.bmc.2007.04.020 | Carbonic anhydrase 4 | 1 |
Data from ChEMBL 36 via Core Engine