Compound Detail
CHEMBL319839
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CCO/C(O)=C1\C(COCCn2c(C)nc(C)c2C)=NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL319839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICIZSYQKIZGOJH-LIZHXUNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.0
MW (Da)
4.97
ALogP
8
HBA
1
HBD
95.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibitory effect on PAF induced platelets aggregation in rabbit | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00542-7 | Platelet-activating factor receptor | 1 |
| - | 10.1016/0960-894X(95)00542-7 | Rattus norvegicus | 1 |
| - | 10.1016/0960-894X(95)00542-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine