Compound Detail
CHEMBL4283637
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 | CHEMBL4283637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATZDENJYNKEIBX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.41
ALogP
5
HBA
4
HBD
121.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.63 | 7.63 | 23.6 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.45 | 7.45 | 35.9 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.14 | 6.14 | 728.5 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.13 | 6.13 | 739.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 23.6 | nM | 7.63 | Inhibition of human CA9 assessed as enzyme inhibitor complex formation preincuba... | 29962205 |
| Carbonic anhydrase 12 | Ki | = | 35.9 | nM | 7.45 | Inhibition of human CA12 assessed as enzyme inhibitor complex formation preincub... | 29962205 |
| Carbonic anhydrase 2 | Ki | = | 728.5 | nM | 6.14 | Inhibition of human CA2 assessed as enzyme inhibitor complex formation preincuba... | 29962205 |
| Carbonic anhydrase 1 | Ki | = | 739.0 | nM | 6.13 | Inhibition of human CA1 assessed as enzyme inhibitor complex formation preincuba... | 29962205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29962205 | 10.1021/acs.jmedchem.8b00770 | Carbonic anhydrase 1 | 1 |
| 29962205 | 10.1021/acs.jmedchem.8b00770 | Carbonic anhydrase 2 | 1 |
| 29962205 | 10.1021/acs.jmedchem.8b00770 | Carbonic anhydrase 9 | 1 |
| 29962205 | 10.1021/acs.jmedchem.8b00770 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine