Compound Detail
CHEMBL84649
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Basic Information
| ChEMBL ID | CHEMBL84649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRUQIUHJXBXLRH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
1.27
ALogP
7
HBA
1
HBD
108.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 8.92 | 8.92 | 1.2 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 1.2 | nM | 8.92 | Inhibitory activity against carbonic anhydrase II | 12166932 |
| Carbonic anhydrase 2 | IC50 | = | 1.2 | nM | 8.92 | In vitro inhibition of human Carbonic Anhydrase II | 2810337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2810337 | 10.1021/jm00131a011 | Oryctolagus cuniculus | 2 |
| 12166932 | 10.1021/jm011112j | Carbonic anhydrase 2 | 1 |
| 12166932 | 10.1021/jm011112j | No relevant target | 1 |
| 2810337 | 10.1021/jm00131a011 | Carbonic anhydrase 2 | 1 |
| 2810337 | 10.1021/jm00131a011 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine