Compound Detail
CHEMBL2336906
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Basic Information
| ChEMBL ID | CHEMBL2336906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGWGODQLJSCOSQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
2.64
ALogP
7
HBA
3
HBD
158.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 7.57 | 7.57 | 26.8 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | IC50 | 7.07 | 7.07 | 85.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of recombinant human carbonic anhydrase 9 after 15 mins by stopped fl... | 23429054 |
| Carbonic anhydrase 2 | IC50 | = | 26.8 | nM | 7.57 | Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped fl... | 23429054 |
| Carbonic anhydrase 1 | IC50 | = | 85.7 | nM | 7.07 | 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 | Unchecked | 2 |
| 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