Compound Detail
CHEMBL168898
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Basic Information
| ChEMBL ID | CHEMBL168898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOTGDKHMXMOTJB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
1.53
ALogP
3
HBA
2
HBD
89.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 49.0 | nM | 7.31 | Inhibitory activity against human cloned isoenzyme carbonic anhydrase II (hCA II... | 12617903 |
| Carbonic anhydrase 1 | Ki | = | 62.0 | nM | 7.21 | Inhibitory activity against human cloned isoenzyme carbonic anhydrase I (hCA I),... | 12617903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617903 | 10.1016/s0960-894x(03)00028-3 | Carbonic anhydrase 1 | 1 |
| 12617903 | 10.1016/s0960-894x(03)00028-3 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine