Compound Detail
CHEMBL214809
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 | CHEMBL214809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZMUHTXYCCBFAV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
360.8
MW (Da)
1.90
ALogP
5
HBA
4
HBD
116.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 7.88 | 7.88 | 13.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 6.9 | nM | 8.16 | Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins pr... | 28658574 |
| Carbonic anhydrase 12 | Ki | = | 13.1 | nM | 7.88 | Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins p... | 28658574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17004715 | 10.1021/jm0604880 | Glutamate receptor ionotropic, AMPA | 1 |
| 17004715 | 10.1021/jm0604880 | Glutamate NMDA receptor | 1 |
| 17004715 | 10.1021/jm0604880 | Unchecked | 1 |
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Carbonic anhydrase 9 | 1 |
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Carbonic anhydrase 12 | 1 |
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Carbonic anhydrase 1 | 1 |
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine