Compound Detail
CHEMBL29288
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 | CHEMBL29288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBOPPXMLTYJKEO-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
-0.56
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.4
EC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.4 | 6.25 | 400.0 | 2 |
| Mus musculus CHEMBL375 | EC50 | 5.09 | 5.015 | 8100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 400.0 | nM | 6.4 | Inhibitory activity against HIV-1 replication in phytohemagglutininin-activated ... | 7731024 |
| ADMET | IC50 | = | 800.0 | nM | 6.1 | Inhibitory activity against HIV-1 replication in phytohemagglutininin-activated ... | 7731024 |
| Mus musculus | EC50 | = | 8100.0 | nM | 5.09 | Concentration that reduces Friend murine leukemia virus titer by 50% | 1992143 |
| Mus musculus | EC50 | = | 11500.0 | nM | 4.94 | Concentration that reduces Rauscher murine leukemia virus titer by 50% | 1992143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992143 | 10.1021/jm00105a064 | NON-PROTEIN TARGET | 6 |
| 7731024 | 10.1021/jm00008a018 | ADMET | 5 |
| 1992143 | 10.1021/jm00105a064 | Mus musculus | 3 |
| 1992143 | 10.1021/jm00105a064 | Unchecked | 2 |
| 1992143 | 10.1021/jm00105a064 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine