Compound Detail
CHEMBL2016876
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CCCCCCCCNC(=O)[C@@H](Cc1ccc(OCc2ccncc2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1
Basic Information
| ChEMBL ID | CHEMBL2016876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBCXDUNUUKRQSV-ONDZYYNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.7
MW (Da)
4.93
ALogP
5
HBA
3
HBD
106.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | Ki | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen | Ki | = | 530.0 | nM | 6.28 | Inhibition of plasmin by dixon plot method | 22276953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22276953 | 10.1021/jm2011996 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine