Compound Detail
CHEMBL105713
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Basic Information
| ChEMBL ID | CHEMBL105713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAIISSWGEDKHNE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
1.89
ALogP
5
HBA
2
HBD
85.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Ki 1 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.13 | 8.13 | 7.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human erythrocyte carbonic anhydrase II | 1501230 |
| Carbonic anhydrase 2 | Ki | = | 7.4 | nM | 8.13 | Compound was evaluated for the inhibition of dansylamide at human carbonic anhyd... | 1501230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1501230 | 10.1021/jm00094a016 | No relevant target | 4 |
| 1501230 | 10.1021/jm00094a016 | Carbonic anhydrase 2 | 4 |
| 1501230 | 10.1021/jm00094a016 | Bos taurus | 1 |
Data from ChEMBL 36 via Core Engine