Compound Detail
CHEMBL3086949
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C[C@H](NP(=O)(Nc1ccn([C@H]2CS[C@@H](COP(=O)(N[C@@H](C)C(=O)OCc3ccccc3)N[C@@H](C)C(=O)OCc3ccccc3)O2)c(=O)n1)N[C@@H](C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3086949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMUKCWNWNGJHMO-YIINFTEVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1034.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.8
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against HIV1 3B infected in human CEM cells assessed as virus... | 24177359 |
| Human immunodeficiency virus 2 | EC50 | = | 58000.0 | nM | 4.24 | Antiviral activity against HIV2 ROD infected in human CEM cells assessed as viru... | 24177359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24177359 | 10.1016/j.ejmech.2013.09.047 | CCRF-CEM | 3 |
| 24177359 | 10.1016/j.ejmech.2013.09.047 | HeLa | 2 |
| 24177359 | 10.1016/j.ejmech.2013.09.047 | L1210 | 2 |
| 24177359 | 10.1016/j.ejmech.2013.09.047 | Human immunodeficiency virus 2 | 1 |
| 24177359 | 10.1016/j.ejmech.2013.09.047 | Human immunodeficiency virus 1 | 1 |
| 24177359 | 10.1016/j.ejmech.2013.09.047 | COLO 320 | 1 |
| 24177359 | 10.1016/j.ejmech.2013.09.047 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine