Compound Detail
CHEMBL104459
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 | CHEMBL104459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPDXBCKJUQPWOW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
-0.90
ALogP
5
HBA
2
HBD
114.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 24.0 | nM | 7.62 | Inhibitory activity against human carbonic anhydrase II using pH stat assay | 1920359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1920359 | 10.1021/jm00114a020 | No relevant target | 2 |
| 1920359 | 10.1021/jm00114a020 | Oryctolagus cuniculus | 2 |
| 1920359 | 10.1021/jm00114a020 | Carbonic anhydrase 2 | 1 |
| 1920359 | 10.1021/jm00114a020 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine