Compound Detail
CHEMBL341760
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Basic Information
| ChEMBL ID | CHEMBL341760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQQZIMNHENDFJL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
1.13
ALogP
6
HBA
2
HBD
115.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Carbonic anhydrase 4 CHEMBL281 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.46 | 5.46 | 3441.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 2.0 | nM | 8.7 | Inhibition of human recombinant carbonic anhydrase II (CA2) | 11087579 |
| Carbonic anhydrase 4 | Ki | = | 10.0 | nM | 8.0 | Inhibition of bovine carbonic anhydrase IV (CA4) from bovine lung microsomes | 11087579 |
| Carbonic anhydrase 1 | Ki | = | 250.0 | nM | 6.6 | Inhibition of human recombinant carbonic anhydrase I (CA1) | 11087579 |
| Unchecked | Ki | = | 3441.0 | nM | 5.46 | Inhibition of Plasmodium falciparum recombinant carbonic anhydrase | 18805693 |
| Unchecked | Ki | = | 3441.0 | nM | 5.46 | Inhibition of Plasmodium falciparum recombinant carbonic anhydrase | 25466203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087579 | 10.1021/jm000296j | Oryctolagus cuniculus | 5 |
| 11087579 | 10.1021/jm000296j | Carbonic anhydrase 1 | 1 |
| 11087579 | 10.1021/jm000296j | Carbonic anhydrase 2 | 1 |
| 11087579 | 10.1021/jm000296j | Carbonic anhydrase 4 | 1 |
| 11087579 | 10.1021/jm000296j | ADMET | 1 |
| 11087579 | 10.1021/jm000296j | No relevant target | 1 |
| 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