Compound Detail
CHEMBL4561814
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Basic Information
| ChEMBL ID | CHEMBL4561814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YREZRIBYHQVZCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
3.37
ALogP
5
HBA
1
HBD
86.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 34.1 | ng.hr.mL-1 | Mus musculus |
| AUC | 424.0 | ng.hr.mL-1 | Mus musculus |
| CL | 197.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 34.97 | nM | Mus musculus |
| F | 2.9 | % | Mus musculus |
| MRT | 0.45 | hr | Mus musculus |
| T1/2 | 0.7 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.5 | nM | 9.3 | Antiproliferative activity against human Mino cells measured after 72 hrs by Cel... | 31125896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31125896 | 10.1016/j.ejmech.2019.05.035 | ADMET | 10 |
| 31125896 | 10.1016/j.ejmech.2019.05.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine