Compound Detail
CHEMBL279335
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Basic Information
| ChEMBL ID | CHEMBL279335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVJHRDUVYHASOG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
3.91
ALogP
2
HBA
0
HBD
22.1
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 5.77
EC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-22 CHEMBL614316 | EC50 | 6.12 | 6.12 | 750.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.77 | 5.72 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-22 | EC50 | = | 750.0 | nM | 6.12 | Neuroprotective activity in mouse HT22 cells assessed as reduction in IAA-induce... | 22192055 |
| Homo sapiens | IC50 | = | 1700.0 | nM | 5.77 | In vitro inhibitory activity of compound on platelet aggregation induced by coll... | 11212091 |
| Homo sapiens | IC50 | = | 2130.0 | nM | 5.67 | In vitro inhibitory activity on platelet aggregation induced by arachidonic acid... | 11212091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212091 | 10.1016/s0960-894x(00)00652-1 | Homo sapiens | 23 |
| 35245665 | 10.1016/j.bmcl.2022.128649 | Mucor circinelloides | 2 |
| 35168150 | 10.1016/j.ejmech.2022.114173 | Mycobacterium tuberculosis | 2 |
| 22192055 | 10.1021/jm2012563 | HT-22 | 2 |
| 21183345 | 10.1016/j.bmcl.2010.11.110 | Unchecked | 1 |
| 28628823 | 10.1016/j.ejmech.2017.06.005 | Mycobacterium tuberculosis | 1 |
| 22280816 | 10.1016/j.ejmech.2011.12.029 | Mycobacterium tuberculosis | 1 |
| 22192055 | 10.1021/jm2012563 | NON-PROTEIN TARGET | 1 |
| 22192055 | 10.1021/jm2012563 | N9 | 1 |
| 22192055 | 10.1021/jm2012563 | PC-12 | 1 |
| - | 10.1021/np50099a013 | Trypanosoma cruzi | 1 |
| - | 10.1021/np50099a013 | Leishmania braziliensis | 1 |
| 8387598 | 10.1021/jm00061a005 | L1210 (1565) | 1 |
| 8387598 | 10.1021/jm00061a005 | P388 | 1 |
| 8387598 | 10.1021/jm00061a005 | KB | 1 |
| 8387598 | 10.1021/jm00061a005 | HCT-8 | 1 |
| 8387598 | 10.1021/jm00061a005 | A549 | 1 |
Data from ChEMBL 36 via Core Engine