Compound Detail
CHEMBL4435951
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Basic Information
| ChEMBL ID | CHEMBL4435951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQOBLLWUIGZKLR-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
1.13
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.43 | 6.43 | 367.6 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 6.34 | 6.34 | 458.7 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 5.85 | 5.85 | 1427.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.72 | 5.72 | 1899.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.66 | 5.66 | 2192.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.59 | 5.59 | 2541.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 367.6 | nM | 6.43 | Inhibition of recombinant human carbonic anhydrase 9 incubated for 1 hr prior to... | 31794211 |
| Carbonic anhydrase 12 | Ki | = | 458.7 | nM | 6.34 | Inhibition of recombinant human carbonic anhydrase 12 incubated for 1 hr prior t... | 31794211 |
| Carbonic anhydrase 4 | Ki | = | 1427.0 | nM | 5.85 | Inhibition of recombinant human carbonic anhydrase 4 incubated for 1 hr prior to... | 31794211 |
| Carbonic anhydrase 7 | Ki | = | 1899.0 | nM | 5.72 | Inhibition of recombinant human carbonic anhydrase 7 incubated for 1 hr prior to... | 31794211 |
| Carbonic anhydrase 2 | Ki | = | 2192.0 | nM | 5.66 | Inhibition of recombinant human carbonic anhydrase 2 incubated for 1 hr prior to... | 31794211 |
| Carbonic anhydrase 1 | Ki | = | 2541.0 | nM | 5.59 | Inhibition of recombinant human carbonic anhydrase 1 incubated for 1 hr prior to... | 31794211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31794211 | 10.1021/acs.jmedchem.9b01669 | Unchecked | 2 |
| 31794211 | 10.1021/acs.jmedchem.9b01669 | Carbonic anhydrase 1 | 1 |
| 31794211 | 10.1021/acs.jmedchem.9b01669 | Carbonic anhydrase 2 | 1 |
| 31794211 | 10.1021/acs.jmedchem.9b01669 | Carbonic anhydrase 4 | 1 |
| 31794211 | 10.1021/acs.jmedchem.9b01669 | Carbonic anhydrase 7 | 1 |
| 31794211 | 10.1021/acs.jmedchem.9b01669 | Carbonic anhydrase 9 | 1 |
| 31794211 | 10.1021/acs.jmedchem.9b01669 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine