Compound Detail
CHEMBL205904
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Basic Information
| ChEMBL ID | CHEMBL205904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEZXZGJJNMPIJM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
557.5
MW (Da)
5.03
ALogP
7
HBA
2
HBD
101.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Complement C1s subcomponent CHEMBL3913 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Trypsin CHEMBL2095204 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Complement C1s subcomponent | Ki | = | 10.0 | nM | 8.0 | Inhibition of C1S | 16460935 |
| Trypsin | Ki | = | 1400.0 | nM | 5.85 | Inhibition of trypsin | 16460935 |
| Coagulation factor X | Ki | = | 11400.0 | nM | 4.94 | Inhibition of F10a | 16460935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16460935 | 10.1016/j.bmcl.2006.01.036 | Complement C1s subcomponent | 1 |
| 16460935 | 10.1016/j.bmcl.2006.01.036 | Urokinase-type plasminogen activator | 1 |
| 16460935 | 10.1016/j.bmcl.2006.01.036 | Tissue-type plasminogen activator | 1 |
| 16460935 | 10.1016/j.bmcl.2006.01.036 | Coagulation factor X | 1 |
| 16460935 | 10.1016/j.bmcl.2006.01.036 | Prothrombin | 1 |
| 16460935 | 10.1016/j.bmcl.2006.01.036 | Plasminogen | 1 |
| 16460935 | 10.1016/j.bmcl.2006.01.036 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine