Compound Detail
CHEMBL104620
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COC(=O)C1=C(c2ccc(-n3ccnc3)cc2)NC(C)=C(C(=O)Nc2nccs2)C1c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL104620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSWONGHXBAKJFL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.0
MW (Da)
5.17
ALogP
8
HBA
2
HBD
98.1
PSA (Ų)
0.33
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | IC50 | 6.38 | 6.38 | 415.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | IC50 | = | 415.0 | nM | 6.38 | 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 |
Data from ChEMBL 36 via Core Engine