Compound Detail
CHEMBL2334359
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Basic Information
| ChEMBL ID | CHEMBL2334359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBYHHFUVSQHWAP-UHFFFAOYSA-K |
| Parent Compound | CHEMBL2365076 |
| Active Moiety | CHEMBL2365076 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.6
MW (Da)
0.66
ALogP
4
HBA
6
HBD
39.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2, isoform A CHEMBL2331045 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Carbonic anhydrase 1 CHEMBL2331046 | Ki | 6.87 | 6.87 | 134.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2, isoform A | Ki | = | 1.5 | nM | 8.82 | Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed... | 22989910 |
| Carbonic anhydrase 1 | Ki | = | 134.0 | nM | 6.87 | Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed... | 22989910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22989910 | 10.1016/j.bmc.2012.08.046 | Carbonic anhydrase 2, isoform A | 1 |
| 22989910 | 10.1016/j.bmc.2012.08.046 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine