Compound Detail
CHEMBL391916
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CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2ccc(NC(=N)N)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c(C(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL391916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVHWUKVWERGOAZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
676.8
MW (Da)
8.56
ALogP
6
HBA
4
HBD
143.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 260.0 | nM | 6.58 | Inhibition of human uPA | 18052026 |
| Tissue-type plasminogen activator | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human recombinant tPA | 18052026 |
| Coagulation factor X | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of factor 10a | 18052026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052026 | 10.1021/jm700962j | Unchecked | 3 |
| 18052026 | 10.1021/jm700962j | Urokinase-type plasminogen activator | 2 |
| 18052026 | 10.1021/jm700962j | Tissue-type plasminogen activator | 1 |
| 18052026 | 10.1021/jm700962j | Plasminogen | 1 |
| 18052026 | 10.1021/jm700962j | Coagulation factor X | 1 |
| 18052026 | 10.1021/jm700962j | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine