Compound Detail
CHEMBL403464
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 | CHEMBL403464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHMTYRKPPADDEE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.25
ALogP
5
HBA
0
HBD
46.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.07 | 5.07 | 8511.4 | 2 |
| rhinovirus A1B CHEMBL613713 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8600.0 | nM | 5.07 | Compound was tested for anti-rhinovirus type 1B activity in a plaque inhibition ... | 2535875 |
| Unchecked | IC50 | = | 8511.38 | nM | 5.07 | Compound was tested for anti-rhinovirus type 1B activity in a plaque inhibition ... | 2535875 |
| rhinovirus A1B | IC50 | = | 8600.0 | nM | 5.07 | In vitro activity against Rhinovirus type 1B by plaque inhibition assay. | 2845083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2535875 | 10.1021/jm00121a039 | Unchecked | 2 |
| 2845083 | 10.1021/jm00118a025 | rhinovirus A1B | 1 |
| 9379440 | 10.1021/jm960662s | Rattus norvegicus | 1 |
| 3346877 | 10.1021/jm00398a019 | Rattus norvegicus | 1 |
| 2540330 | 10.1021/jm00125a015 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine