Compound Detail
CHEMBL478461
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NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(F)(F)F)cc1NC(=O)c1cc2ccccc2oc1=O
Basic Information
| ChEMBL ID | CHEMBL478461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKGMTJGXBDTFKN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
491.4
MW (Da)
1.36
ALogP
7
HBA
3
HBD
179.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.04 | 5.04 | 9034.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 9034.0 | nM | 5.04 | Inhibition of Plasmodium falciparum recombinant carbonic anhydrase | 18805693 |
| Unchecked | Ki | = | 9034.0 | nM | 5.04 | Inhibition of Plasmodium falciparum recombinant carbonic anhydrase | 25466203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18805693 | 10.1016/j.bmcl.2008.09.030 | Unchecked | 1 |
| 18805693 | 10.1016/j.bmcl.2008.09.030 | Plasmodium falciparum | 1 |
| 25466203 | 10.1016/j.bmcl.2014.10.089 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine