Compound Detail
CHEMBL442519
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C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL442519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFZMWWCBMPCKFD-DTLHCQOUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1218.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.86 | 6.86 | 137.5 | 1 |
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 137.5 | nM | 6.86 | In vitro inhibitory activity against HIV-1 RT in CEM4 cell line | 14643337 |
| Peptidyl-prolyl cis-trans isomerase A | IC50 | = | 166.0 | nM | 6.78 | Immunosuppressive activity was measured by inhibition of the IL-2 production in ... | 14643337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643337 | 10.1016/j.bmcl.2003.09.042 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 14643337 | 10.1016/j.bmcl.2003.09.042 | Peptidyl-prolyl cis-trans isomerase A | 1 |
Data from ChEMBL 36 via Core Engine