Compound Detail
CHEMBL4858278
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C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4858278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQSOKJPFCQSOTD-DJTZQDRGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1218.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High mobility group protein B1 CHEMBL2311236 | Kd | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High mobility group protein B1 | Kd | = | 1900.0 | nM | 5.72 | Binding affinity to 6His-tagged HMGB1 (unknown origin) incubated for 15 mins by ... | 34510899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34510899 | 10.1021/acs.jmedchem.1c00852 | High mobility group protein B1 | 1 |
Data from ChEMBL 36 via Core Engine