Compound Detail
CHEMBL4290328
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 | CHEMBL4290328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFWRNMLAEJHPAG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
1.10
ALogP
4
HBA
4
HBD
121.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.59 | 6.59 | 254.1 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.45 | 6.45 | 354.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 5.5 | nM | 8.26 | Inhibition of human CA12 assessed as enzyme inhibitor complex formation preincub... | 29962205 |
| Carbonic anhydrase 9 | Ki | = | 254.1 | nM | 6.59 | Inhibition of human CA9 assessed as enzyme inhibitor complex formation preincuba... | 29962205 |
| Carbonic anhydrase 1 | Ki | = | 354.0 | nM | 6.45 | 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