Compound Detail
CHEMBL273666
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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nccs1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL273666 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YBHHKOLSBRYOCJ-FKBYEOEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
587.8
MW (Da)
2.56
ALogP
8
HBA
6
HBD
188.4
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor XI CHEMBL2820 | IC50 | 6.45 | 6.45 | 356.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor XI | IC50 | = | 356.0 | nM | 6.45 | Inhibition of factor 11a | 17181160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181160 | 10.1021/jm060978s | Coagulation factor X | 1 |
| 17181160 | 10.1021/jm060978s | Prothrombin | 1 |
| 17181160 | 10.1021/jm060978s | Coagulation factor XI | 1 |
Data from ChEMBL 36 via Core Engine