Compound Detail
CHEMBL351224
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Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2C)CCN(Cc1cccc(/C(=N\OCCCCC(=O)OCCCc2cccnc2)c2cccnc2)c1)C3
Basic Information
| ChEMBL ID | CHEMBL351224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYXZHKJXXANYCY-XJKKGHOQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
813.4
MW (Da)
8.67
ALogP
12
HBA
0
HBD
120.0
PSA (Ų)
0.04
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 65.0 | nM | 7.19 | Inhibition of Platelet activating factor (PAF)- induced platelet aggregation in ... | 11858999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11858999 | 10.1016/s0960-894x(02)00005-7 | Thromboxane-A synthase | 3 |
| 11858999 | 10.1016/s0960-894x(02)00005-7 | Platelet-activating factor receptor | 2 |
| 11858999 | 10.1016/s0960-894x(02)00005-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine