Compound Detail
CHEMBL5177587
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CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(n2)CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSCc3cccc(n3)CSC[C@@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CCC[C@H]3C(=O)N2)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5177587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUXDEDJWALIREE-XROANPEMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2105.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kallikrein-5 CHEMBL4447 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kallikrein-5 | Ki | = | 2.0 | nM | 8.7 | Inhibition of C-terminal poly-His-tagged human recombinant KLK5 (30 to 293 resid... | 35653695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35653695 | 10.1021/acs.jmedchem.2c00306 | Kallikrein-5 | 1 |
Data from ChEMBL 36 via Core Engine