Compound Detail
CHEMBL4519372
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Basic Information
| ChEMBL ID | CHEMBL4519372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNKJSUKNMWQSDT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
236.2
MW (Da)
1.39
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.52 | 7.52 | 30.3 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 7.21 | 7.21 | 62.2 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.21 | 5.21 | 6187.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 30.3 | nM | 7.52 | Inhibition of recombinant human carbonic anhydrase 12 incubated for 6 hrs prior ... | 31287314 |
| Carbonic anhydrase 4 | Ki | = | 62.2 | nM | 7.21 | Inhibition of recombinant human carbonic anhydrase 4 incubated for 6 hrs prior t... | 31287314 |
| Carbonic anhydrase 9 | Ki | = | 6187.6 | nM | 5.21 | Inhibition of recombinant human carbonic anhydrase 9 incubated for 6 hrs prior t... | 31287314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31287314 | 10.1021/acs.jmedchem.9b00845 | Carbonic anhydrase 1 | 1 |
| 31287314 | 10.1021/acs.jmedchem.9b00845 | Carbonic anhydrase 2 | 1 |
| 31287314 | 10.1021/acs.jmedchem.9b00845 | Carbonic anhydrase 4 | 1 |
| 31287314 | 10.1021/acs.jmedchem.9b00845 | Carbonic anhydrase 9 | 1 |
| 31287314 | 10.1021/acs.jmedchem.9b00845 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine