Compound Detail
CHEMBL438302
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CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL438302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEUHWEPJGFDVEL-RDFDNYAESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
2212.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-MEL-2 CHEMBL614917 | IC50 | 6.1 | 5.99 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL-2 | IC50 | = | 800.0 | nM | 6.1 | Growth inhibition of SK-Mel2 melanoma cells after 48 hrs by MTT assay | 17685505 |
| SK-MEL-2 | IC50 | = | 1330.0 | nM | 5.88 | Growth inhibition of SK-Mel2 melanoma cells after 48 hrs by MTT assay | 17685505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17685505 | 10.1021/jm0705657 | SK-MEL-2 | 2 |
Data from ChEMBL 36 via Core Engine