Compound Detail
CHEMBL3629266
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CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OC(C)(C)C)C1Cc1ccc(/C(N)=N/C(=O)OC(C)(C)C)cc1)c1ccccn1
Basic Information
| ChEMBL ID | CHEMBL3629266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKCJBCNEADKQIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
725.9
MW (Da)
6.21
ALogP
10
HBA
1
HBD
171.5
PSA (Ų)
0.09
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.86 | 4.86 | 13780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13780.0 | nM | 4.86 | Inhibition of thrombin-induced rabbit platelet aggregation after 4 hrs in presen... | 26537784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26537784 | 10.1016/j.bmc.2015.10.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine