Compound Detail
CHEMBL86026
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COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc5c(N)nccc5cc4N)C3=O)cc2c1
Basic Information
| ChEMBL ID | CHEMBL86026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKKBRPCGZZKXSN-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
2.64
ALogP
7
HBA
3
HBD
140.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL3656 | Ki | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | Ki | = | 80.0 | nM | 7.1 | In vitro evaluation of inhibitory activity against Coagulation factor X in proth... | 10498204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498204 | 10.1016/s0960-894x(99)00421-7 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine