Compound Detail
CHEMBL4453203
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4453203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORDOVOAXLGQUIE-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
0.65
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.37 | 7.37 | 42.7 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.23 | 7.23 | 58.4 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 6.9 | 6.9 | 125.5 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.85 | 6.85 | 140.1 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 6.34 | 6.34 | 461.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.26 | 6.26 | 546.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 42.7 | nM | 7.37 | Inhibition of recombinant human carbonic anhydrase 12 incubated for 1 hr prior t... | 31794211 |
| Carbonic anhydrase 9 | Ki | = | 58.4 | nM | 7.23 | Inhibition of recombinant human carbonic anhydrase 9 incubated for 1 hr prior to... | 31794211 |
| Carbonic anhydrase 7 | Ki | = | 125.5 | nM | 6.9 | Inhibition of recombinant human carbonic anhydrase 7 incubated for 1 hr prior to... | 31794211 |
| Carbonic anhydrase 2 | Ki | = | 140.1 | nM | 6.85 | Inhibition of recombinant human carbonic anhydrase 2 incubated for 1 hr prior to... | 31794211 |
| Carbonic anhydrase 4 | Ki | = | 461.0 | nM | 6.34 | Inhibition of recombinant human carbonic anhydrase 4 incubated for 1 hr prior to... | 31794211 |
| Carbonic anhydrase 1 | Ki | = | 546.7 | nM | 6.26 | 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