Compound Detail
CHEMBL439937
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COc1cc(C(=O)c2cccc(NC(=O)[C@@H]3CSC(c4cccnc4)N3)c2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL439937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXHPJPFGFGYBPD-UBDBMELISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
3.68
ALogP
8
HBA
2
HBD
98.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL5136 | Ki | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 1.6 | nM | 8.8 | Antagonist activity against platelet activating factor (PAF) receptor in rabbit ... | 8027984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027984 | 10.1021/jm00039a015 | Platelet-activating factor receptor | 2 |
| 8027984 | 10.1021/jm00039a015 | Mus musculus | 1 |
| 8027984 | 10.1021/jm00039a015 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine