Compound Detail
CHEMBL276368
TIMEGADINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL276368 |
| Name | TIMEGADINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SQVNITZYWXMWOG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
3
Known Names
Molecular Properties
365.5
MW (Da)
5.02
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 31.0 | nM | 7.51 | In vitro antiplatelet activity against arachidonic acid induced malondialdehyde ... | 8164261 |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory concentration against PG synthetase | 6965727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6965727 | 10.1021/jm00175a004 | Rattus norvegicus | 14 |
| 6965727 | 10.1021/jm00175a004 | Mus musculus | 3 |
| 8164261 | 10.1021/jm00034a017 | Cavia porcellus | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 8164261 | 10.1021/jm00034a017 | Oryctolagus cuniculus | 1 |
| 8164261 | 10.1021/jm00034a017 | Rattus norvegicus | 1 |
| 6965727 | 10.1021/jm00175a004 | Cyclooxygenase | 1 |
| 6965727 | 10.1021/jm00175a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine