Compound Detail
CHEMBL3585548
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COc1ccc2oc(=O)cc(CC(=O)c3cc(C(F)(F)F)c(S(N)(=O)=O)cc3S(N)(=O)=O)c2c1
Basic Information
| ChEMBL ID | CHEMBL3585548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUMITODMPUVAQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
1.54
ALogP
8
HBA
2
HBD
176.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.6 | 5.6 | 2519.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2519.0 | nM | 5.6 | Inhibition of Plasmodium falciparum recombinant carbonic anhydrase | 25466203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25466203 | 10.1016/j.bmcl.2014.10.089 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine