Compound Detail
CHEMBL430596
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Basic Information
| ChEMBL ID | CHEMBL430596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLHFDEALLUEERB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
-1.19
ALogP
8
HBA
1
HBD
116.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL2095180 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | IC50 | = | 50.0 | nM | 7.3 | Evaluated for its activity against carbonic anhydrase (CA) in anesthetized rabbi... | 3669014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3669014 | 10.1021/jm00394a021 | No relevant target | 2 |
| 3669014 | 10.1021/jm00394a021 | Oryctolagus cuniculus | 2 |
| 3669014 | 10.1021/jm00394a021 | Carbonic anhydrase | 1 |
| 3669014 | 10.1021/jm00394a021 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine