Compound Detail
CHEMBL3350401
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Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1.O=C1CCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL3350401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFBGIXGNEWGOFQ-JOSFYAAFSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.2
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 7.2 | 7.16 | 63.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 63.0 | nM | 7.2 | AntiHIV-1 activity measured in MT-4 cells at 5 to 6 different concentrations, us... | 1695683 |
| MT4 | EC50 | = | 75.0 | nM | 7.12 | AntiHIV-1 activity measured in MT-4 cells at 5 to 6 different concentrations, us... | 1695683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1695683 | 10.1021/jm00170a016 | Unchecked | 4 |
| 1695683 | 10.1021/jm00170a016 | MT4 | 3 |
| 1695683 | 10.1021/jm00170a016 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine