Compound Detail
CHEMBL4556625
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C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSSC[C@@H](C(N)=O)NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL4556625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFPHDGRDJOPENZ-DMFRJUKESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1822.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.76 | 4.76 | 17370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17370.0 | nM | 4.76 | Inhibition of Nav1.2/Nav1.4 (unknown origin) expressed in Xenopus laevis oocytes... | 31986036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31986036 | 10.1021/acs.jmedchem.9b01409 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine