Compound Detail
CHEMBL312593
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Basic Information
| ChEMBL ID | CHEMBL312593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAZPZNCEAZRGPY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
1.90
ALogP
6
HBA
1
HBD
99.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 8.4 | 7.9 | 4.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6333 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibition of human Carbonic Anhydrase II | 2810337 |
| Carbonic anhydrase 2 | IC50 | = | 40.0 | nM | 7.4 | In vitro inhibition against purified human erythrocyte carbonic anhydrase II was... | 3560154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2810337 | 10.1021/jm00131a011 | Oryctolagus cuniculus | 9 |
| 2810337 | 10.1021/jm00131a011 | ADMET | 2 |
| 3560154 | 10.1021/jm00387a002 | Carbonic anhydrase 2 | 1 |
| 3560154 | 10.1021/jm00387a002 | No relevant target | 1 |
| 2585443 | 10.1021/jm00132a009 | Oryctolagus cuniculus | 1 |
| 2810337 | 10.1021/jm00131a011 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine