Compound Detail
CHEMBL108730
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CCCCC(C)CC(C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C(=O)C=CC1C)C(C)C)C(C)OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL108730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSXKGFVHTYHBSG-YSBVEIPPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
748.0
MW (Da)
2.91
ALogP
9
HBA
2
HBD
173.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | EC50 | 10.7 | 10.7 | 0.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | EC50 | = | 0.02 | nM | 10.7 | The compound was tested for inhibition of murine splenocyte proliferation by [3H... | 7932542 |
| Homo sapiens | EC50 | = | 0.02 | nM | 10.7 | The compound was tested for inhibition of human splenocyte proliferation by [3H]... | 7932542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932542 | 10.1021/jm00045a024 | Mus musculus | 1 |
| 7932542 | 10.1021/jm00045a024 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine