Compound Detail
CHEMBL193635
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Basic Information
| ChEMBL ID | CHEMBL193635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPDNQZKXFDWIGQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
252.4
MW (Da)
1.94
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.33 | 6.33 | 473.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 473.0 | nM | 6.33 | Inhibitory constant against human Carbonic anhydrase II | 15837324 |
| Carbonic anhydrase 1 | Ki | = | 5800.0 | nM | 5.24 | Inhibitory constant against human Carbonic anhydrase I | 15837324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837324 | 10.1016/j.bmcl.2005.02.091 | Unchecked | 2 |
| 15837324 | 10.1016/j.bmcl.2005.02.091 | Carbonic anhydrase 1 | 1 |
| 15837324 | 10.1016/j.bmcl.2005.02.091 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine