Compound Detail
CHEMBL152994
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Basic Information
| ChEMBL ID | CHEMBL152994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMJJMIUNXZQQCQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
2.02
ALogP
3
HBA
1
HBD
69.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 4500.0 | nM | 5.35 | Inhibitory activity against human carbonic anhydrase II. | 14640555 |
| Carbonic anhydrase 1 | Ki | = | 38000.0 | nM | 4.42 | Inhibitory activity against human carbonic anhydrase I. | 14640555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 1 | 1 |
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 2 | 1 |
| 14640555 | 10.1021/jm030911u | Carbonic anhydrase 9 | 1 |
Data from ChEMBL 36 via Core Engine