Compound Detail
CHEMBL3115364
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3115364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHFWLMIUMATRAU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.8
MW (Da)
5.11
ALogP
5
HBA
1
HBD
83.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 17.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 30.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | 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 | Rattus norvegicus | 2 |
| 24412110 | 10.1016/j.bmcl.2013.12.070 | Human immunodeficiency virus | 2 |
| 24412110 | 10.1016/j.bmcl.2013.12.070 | No relevant target | 1 |
| 24412110 | 10.1016/j.bmcl.2013.12.070 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine