Compound Detail
CHEMBL3977531
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CO[C@@H]1CN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C[C@@H]1CNC(=O)c1ccc(Cl)s1
Basic Information
| ChEMBL ID | CHEMBL3977531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLLBAHMTXWSESM-KBXCAEBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
3.60
ALogP
6
HBA
2
HBD
92.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | Kd | 7.79 | 7.79 | 16.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Kd | = | 16.3 | nM | 7.79 | Protein construct Factor Xa purchased from R&D Systems- Source : Sf9 derived, M... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885741 | Coagulation factor X | 3 |
Data from ChEMBL 36 via Core Engine