Compound Detail
CHEMBL100493
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Basic Information
| ChEMBL ID | CHEMBL100493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJKFZZBPTCGMAY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
3.48
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of PAF-induced platelet aggregation | 8411016 |
| Oryctolagus cuniculus | IC50 | = | 40.0 | nM | 7.4 | Concentration required to inhibit PAF-induced maximum platelet aggregation in ra... | 8558517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411016 | 10.1021/jm00072a019 | Mus musculus | 4 |
| 8558517 | 10.1021/jm950555i | Mus musculus | 4 |
| 8411016 | 10.1021/jm00072a019 | Platelet-activating factor receptor | 3 |
| 8411016 | 10.1021/jm00072a019 | Rattus norvegicus | 2 |
| 8558517 | 10.1021/jm950555i | Oryctolagus cuniculus | 1 |
| 8558517 | 10.1021/jm950555i | Rattus norvegicus | 1 |
| 8558517 | 10.1021/jm950555i | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine