Compound Detail
CHEMBL207981
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
Cc1cc(CNC(=O)[C@@H]2C=CCN2C(=O)C(CC2CCCCC2)NCC(=O)O)sc1C(=N)N
Basic Information
| ChEMBL ID | CHEMBL207981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJKMIUMNDMWVGF-ZVAWYAOSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
1.74
ALogP
6
HBA
5
HBD
148.6
PSA (Ų)
0.20
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 8.75 | 8.75 | 1.8 | 1 |
| Trypsin CHEMBL2095204 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 6.16 | 6.16 | 687.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 1.76 | nM | 8.75 | Inhibition of thrombin | 16517159 |
| Trypsin | IC50 | = | 117.0 | nM | 6.93 | Inhibition of trypsin | 16517159 |
| Tissue-type plasminogen activator | IC50 | = | 687.0 | nM | 6.16 | Inhibition of tPA | 16517159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16517159 | 10.1016/j.bmcl.2006.02.040 | Rattus norvegicus | 2 |
| 16517159 | 10.1016/j.bmcl.2006.02.040 | Prothrombin | 1 |
| 16517159 | 10.1016/j.bmcl.2006.02.040 | Trypsin | 1 |
| 16517159 | 10.1016/j.bmcl.2006.02.040 | Tissue-type plasminogen activator | 1 |
| 16517159 | 10.1016/j.bmcl.2006.02.040 | Plasminogen | 1 |
| 16517159 | 10.1016/j.bmcl.2006.02.040 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine