Compound Detail
CHEMBL2347122
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COC(=O)/C=C/c1ccc(OC(=O)CCN(C(=O)c2ccc3c(c2)nc(CNc2ccc(/C(N)=N\C(=O)OC)cc2)n3C)c2ccccn2)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL2347122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGSFZSICRQNWOE-RQZCQDPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
719.8
MW (Da)
4.89
ALogP
12
HBA
2
HBD
189.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet CHEMBL4296519 | IC50 | 6.08 | 6.08 | 841.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet | IC50 | = | 841.0 | nM | 6.08 | Inhibition of thrombin-induced rabbit platelet aggregation compound pre-incubate... | 23466230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23466230 | 10.1016/j.bmcl.2013.01.126 | Platelet | 1 |
Data from ChEMBL 36 via Core Engine