Compound Detail
CHEMBL136198
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COC(=O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=N)N)C1
Basic Information
| ChEMBL ID | CHEMBL136198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COLLEBNQWLYCDQ-FUDKSRODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
0.76
ALogP
7
HBA
4
HBD
175.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibition of human thrombin catalytic activity after 3 min pre incubat... | 11738569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11738569 | 10.1016/s0960-894x(01)00664-3 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine