Compound Detail
CHEMBL63033
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Basic Information
| ChEMBL ID | CHEMBL63033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWGBPNKASCASNV-CVEARBPZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
-0.28
ALogP
4
HBA
4
HBD
139.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 180.0 | nM | 6.75 | Compound was evaluated for the inhibition of thrombin | 9622548 |
| Prothrombin | IC50 | = | 540.0 | nM | 6.27 | In vitro inhibitory activity against hydrolysis of human alpha thrombin | 11738570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00442-8 | Unchecked | 4 |
| 9622548 | 10.1021/jm970796l | Prothrombin | 1 |
| 11738570 | 10.1016/s0960-894x(01)00667-9 | Prothrombin | 1 |
| - | 10.1016/0960-894X(96)00442-8 | Prothrombin | 1 |
| - | 10.1016/0960-894X(96)00442-8 | Serine protease 1 | 1 |
| - | 10.1016/0960-894X(96)00442-8 | Plasminogen | 1 |
| - | 10.1016/0960-894X(96)00442-8 | Tissue-type plasminogen activator | 1 |
| - | 10.1016/0960-894X(96)00442-8 | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine