Compound Detail
CHEMBL2087701
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Cc1nc(C)c(COC(=O)CCN(C(=O)c2ccc3c(c2)nc(CNc2ccc(/C(N)=N\C(=O)OC(C)(C)C)cc2)n3C)c2ccccn2)nc1C
Basic Information
| ChEMBL ID | CHEMBL2087701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBANOMJROUSMIC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
705.8
MW (Da)
5.72
ALogP
11
HBA
2
HBD
179.8
PSA (Ų)
0.10
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.5 | 8.5 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3.13 | nM | 8.5 | Antiplatelet activity against rabbit platelets assessed as inhibition of thrombi... | 23043765 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23043765 | 10.1016/j.ejmech.2012.09.016 | NON-PROTEIN TARGET | 1 |
| 23043765 | 10.1016/j.ejmech.2012.09.016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine