Compound Detail
CHEMBL23258
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Basic Information
| ChEMBL ID | CHEMBL23258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLTVRSUIOUTBRQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
0.18
ALogP
5
HBA
1
HBD
112.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 1.5 | nM | 8.82 | Inhibition of human carbonic anhydrase II | 12747791 |
| Carbonic anhydrase 9 | Ki | = | 36.0 | nM | 7.44 | Inhibitory concentration against catalytic domain of human cloned carbonic anhyd... | 12747791 |
| Carbonic anhydrase 1 | Ki | = | 40.0 | nM | 7.4 | Inhibition of human recombinant carbonic anhydrase I | 12747791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11965370 | 10.1016/s0960-894x(02)00137-3 | Steryl-sulfatase | 2 |
| 11294387 | 10.1016/s0960-894x(01)00087-7 | Steryl-sulfatase | 2 |
| 11294387 | 10.1016/s0960-894x(01)00087-7 | No relevant target | 1 |
| 12747791 | 10.1021/jm021124k | Carbonic anhydrase 1 | 1 |
| 12747791 | 10.1021/jm021124k | Carbonic anhydrase 2 | 1 |
| 12747791 | 10.1021/jm021124k | Carbonic anhydrase 9 | 1 |
Data from ChEMBL 36 via Core Engine