Compound Detail
CHEMBL2042369
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 | CHEMBL2042369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGIRETJJHMVFCS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
3.39
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 6 CHEMBL3025 | Ki | 4.95 | 4.95 | 11143.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 4.88 | 4.88 | 13120.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.6 | 4.6 | 25341.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 4.58 | 4.58 | 26376.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 6 | Ki | = | 11143.0 | nM | 4.95 | Inhibition of human CA6 using 4NPA as substrate for 3 mins by Lineweaver burk pl... | 22687439 |
| Carbonic anhydrase 4 | Ki | = | 13120.0 | nM | 4.88 | Inhibition of human CA4 using 4NPA as substrate for 3 mins by Lineweaver burk pl... | 22687439 |
| Carbonic anhydrase 1 | Ki | = | 25341.0 | nM | 4.6 | Noncompetitive inhibition of human CA1 using 4NPA as substrate for 3 mins by Lin... | 22687439 |
| Carbonic anhydrase 2 | Ki | = | 26376.0 | nM | 4.58 | Inhibition of human CA2 using 4NPA as substrate for 3 mins by Lineweaver burk pl... | 22687439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22687439 | 10.1016/j.ejmech.2012.05.025 | Carbonic anhydrase 6 | 1 |
| 22687439 | 10.1016/j.ejmech.2012.05.025 | Carbonic anhydrase 4 | 1 |
| 22687439 | 10.1016/j.ejmech.2012.05.025 | Carbonic anhydrase 2 | 1 |
| 22687439 | 10.1016/j.ejmech.2012.05.025 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine