Compound Detail
CHEMBL2016877
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CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C=O)CCCNC(=N)N
Basic Information
| ChEMBL ID | CHEMBL2016877 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NHJDWYLZIAQUSI-UDIDDNNKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
682.8
MW (Da)
-2.95
ALogP
10
HBA
11
HBD
311.6
PSA (Ų)
0.03
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen CHEMBL1801 | Ki | 8.51 | 8.51 | 3.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen | Ki | = | 3.08 | nM | 8.51 | Inhibition of plasmin by dixon plot method | 22276953 |
| Plasminogen | Ki | = | 3.1 | nM | 8.51 | Inhibition of human plasmin assessed as reduction in proteolysis activity in pre... | 31658420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22276953 | 10.1021/jm2011996 | Plasminogen | 1 |
| 31658420 | 10.1021/acs.jmedchem.9b01060 | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine