Compound Detail
CHEMBL21048
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 | CHEMBL21048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOANOTIFIXBPLC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.2
MW (Da)
1.56
ALogP
5
HBA
2
HBD
115.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| UV4 CHEMBL612800 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxic concentration in vitro in well-oxygenated mammalian cells | 8308863 |
| UV4 | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity in a growth inhibition assay against aerobic cultures of UV4 cells ... | 7707325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707325 | 10.1021/jm00007a019 | CHO-AA8 | 1 |
| 7707325 | 10.1021/jm00007a019 | UV4 | 1 |
| 7707325 | 10.1021/jm00007a019 | Unchecked | 1 |
| 8308863 | 10.1021/jm00029a009 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine