Compound Detail
CHEMBL24119
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Basic Information
| ChEMBL ID | CHEMBL24119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYMGZNSEGRJUFE-UHFFFAOYSA-N |
4
Targets
9
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
0.14
ALogP
4
HBA
1
HBD
93.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.39
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.83 | 6.83 | 149.0 | 2 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.32 | 6.32 | 480.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 4.39 | 4.255 | 41000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 41.0 | nM | 7.39 | Inhibitory concentration against catalytic domain of human cloned carbonic anhyd... | 12747791 |
| Carbonic anhydrase 2 | Ki | = | 149.0 | nM | 6.83 | Inhibition of human carbonic anhydrase II | 12747791 |
| Carbonic anhydrase 2 | Ki | = | 149.0 | nM | 6.83 | Inhibitory constant against human Carbonic anhydrase II | 15837324 |
| Carbonic anhydrase 1 | Ki | = | 480.0 | nM | 6.32 | Inhibition of human recombinant carbonic anhydrase I | 12747791 |
| Carbonic anhydrase 1 | Ki | = | 480.0 | nM | 6.32 | Inhibitory constant against human Carbonic anhydrase I | 15837324 |
| Unchecked | Ki | = | 41000.0 | nM | 4.39 | Inhibitory constant against human tumor Carbonic anhydrases IX or XII | 15837324 |
| Unchecked | Ki | = | 76000.0 | nM | 4.12 | Inhibitory constant against human tumor Carbonic anhydrases IX or XII | 15837324 |
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 |
| 15837324 | 10.1016/j.bmcl.2005.02.091 | Unchecked | 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 |
| 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