Compound Detail
CHEMBL2336901
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Basic Information
| ChEMBL ID | CHEMBL2336901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQOZIRPXVMQDOX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.70
ALogP
6
HBA
2
HBD
107.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 7.21 | 7.21 | 61.8 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | IC50 | 6.66 | 6.66 | 220.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 61.8 | nM | 7.21 | Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped fl... | 23429054 |
| Carbonic anhydrase 1 | IC50 | = | 220.2 | nM | 6.66 | Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped fl... | 23429054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23429054 | 10.1016/j.ejmech.2013.01.030 | Carbonic anhydrase 9 | 1 |
| 23429054 | 10.1016/j.ejmech.2013.01.030 | Carbonic anhydrase 2 | 1 |
| 23429054 | 10.1016/j.ejmech.2013.01.030 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine