Compound Detail
CHEMBL355060
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NCCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21)C(=O)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL355060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCMGNZDFXFVZPC-ACRUOGEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
1.77
ALogP
7
HBA
2
HBD
125.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | IC50 | = | 14.0 | nM | 7.85 | In vitro inhibitory activity against human trypsin | 10206546 |
| Prothrombin | IC50 | = | 77.0 | nM | 7.11 | Inhibition of human Thrombin | 10206546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10206546 | 10.1016/s0960-894x(99)00096-7 | Prothrombin | 1 |
| 10206546 | 10.1016/s0960-894x(99)00096-7 | Serine protease 1 | 1 |
| 10206546 | 10.1016/s0960-894x(99)00096-7 | Thrombin & trypsin | 1 |
Data from ChEMBL 36 via Core Engine