Compound Detail
CHEMBL25835
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O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](CCNc1ccncc1)C(=O)N1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL25835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYERGKHVKYCCJM-XMMPIXPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
2.51
ALogP
6
HBA
3
HBD
120.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 200.0 | nM | 6.7 | Tested for the Inhibition of the catalytic activity of human Thrombin at 25 degr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00210-2 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00210-2 | Serine protease 1 | 1 |
| - | 10.1016/S0960-894X(97)00210-2 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine