Compound Detail
CHEMBL213625
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Basic Information
| ChEMBL ID | CHEMBL213625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLUFATXNFCEHMR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
0.85
ALogP
7
HBA
0
HBD
62.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBL CHEMBL614233 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.75 | hr | Homo sapiens |
| T1/2 | 0.03333 | hr | - |
| T1/2 | 0.03333 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBL | IC50 | = | 18.0 | nM | 7.75 | Inhibition of IL4-induced IgE synthesis in human peripheral blood lymphocytes | 16814547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16814547 | 10.1016/j.bmcl.2006.05.042 | ADMET | 2 |
| 16814547 | 10.1016/j.bmcl.2006.05.042 | PBL | 1 |
| 16814547 | 10.1016/j.bmcl.2006.05.042 | Liver microsomes | 1 |
| 16814547 | 10.1016/j.bmcl.2006.05.042 | No relevant target | 1 |
| 16814547 | 10.1016/j.bmcl.2006.05.042 | Salmonella typhi | 1 |
Data from ChEMBL 36 via Core Engine