Compound Detail
CHEMBL441922
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CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](Cc3c[nH]cn3)NC(=O)[C@H](CC(=O)NCCCC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)O)C(C)C)NC2=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL441922 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LLGCKZYSAIYHNM-XWYPRAPOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1649.9
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.85 | 7.665 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 14.0 | nM | 7.85 | Activity expressed as EC50 was measured in frog. | 7752197 |
| Unchecked | EC50 | = | 33.0 | nM | 7.48 | Activity expressed as EC50 was measured in lizard. | 7752197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752197 | 10.1021/jm00010a018 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine