Compound Detail
CHEMBL3115366
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Basic Information
| ChEMBL ID | CHEMBL3115366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSIGTRBTZWDKCW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
456.7
MW (Da)
4.25
ALogP
6
HBA
1
HBD
96.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of HIV wild-type reverse transcriptase by electrochemiluminescence as... | 24412110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24412110 | 10.1016/j.bmcl.2013.12.070 | Human immunodeficiency virus | 2 |
| 24412110 | 10.1016/j.bmcl.2013.12.070 | Rattus norvegicus | 1 |
| 24412110 | 10.1016/j.bmcl.2013.12.070 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine