Compound Detail
CHEMBL287614
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Basic Information
| ChEMBL ID | CHEMBL287614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKBQMUGJGVGZIB-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
0.82
ALogP
6
HBA
4
HBD
150.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 9.3 | 9.3 | 0.5 | 3 |
| Serine protease 1 CHEMBL209 | Ki | 6.24 | 6.24 | 570.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 0.5 | nM | 9.3 | Binding affinity towards thrombin was evaluated | 9871547 |
| Prothrombin | Ki | = | 0.5 | nM | 9.3 | Binding affinity against human thrombin | - |
| Prothrombin | Ki | = | 0.5 | nM | 9.3 | Inhibitory constant evaluated against thrombin (Factor IIa) | 14505652 |
| Serine protease 1 | Ki | = | 570.0 | nM | 6.24 | Binding affinity against human trypsin | - |
| Serine protease 1 | Ki | = | 570.0 | nM | 6.24 | Inhibitory constant evaluated against trypsin | 14505652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871547 | 10.1016/s0960-894x(98)00117-6 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Prothrombin | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Serine protease 1 | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Plasminogen | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Tissue-type plasminogen activator | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Vitamin K-dependent protein C | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Plasma kallikrein | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | Chymotrypsinogen A | 1 |
| - | 10.1016/S0960-894X(97)00257-6 | NON-PROTEIN TARGET | 1 |
| 14505652 | 10.1016/s0960-894x(03)00732-7 | Prothrombin | 1 |
| 14505652 | 10.1016/s0960-894x(03)00732-7 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine