Compound Detail
CHEMBL176892
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Basic Information
| ChEMBL ID | CHEMBL176892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCMLQMDWSXFTIF-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
171.2
MW (Da)
0.64
ALogP
2
HBA
1
HBD
60.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.79 | 4.79 | 16218.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 16218.1 | nM | 4.79 | Inhibitory activity against carbonic anhydrase | 15482943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 423173 | 10.1021/jm00187a025 | Unchecked | 3 |
| 25537270 | 10.1016/j.bmcl.2014.12.006 | Amyloid-beta precursor protein | 2 |
| 2709382 | 10.1021/jm00125a005 | Carbonic anhydrase | 1 |
| 15686889 | 10.1016/j.bmcl.2004.12.057 | Unchecked | 1 |
| 15686889 | 10.1016/j.bmcl.2004.12.057 | ADMET | 1 |
| 15686889 | 10.1016/j.bmcl.2004.12.057 | No relevant target | 1 |
| 15482943 | 10.1016/j.bmcl.2004.08.051 | ADMET | 1 |
| 15482943 | 10.1016/j.bmcl.2004.08.051 | Unchecked | 1 |
| 15482943 | 10.1016/j.bmcl.2004.08.051 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine