Compound Detail
CHEMBL4462529
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 | CHEMBL4462529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYPHQYKJFHYPMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
2.57
ALogP
6
HBA
1
HBD
79.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 288.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 397.0 | ng.hr.mL-1 | Mus musculus |
| CL | 210.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1065.34 | nM | Mus musculus |
| F | 17.6 | % | Mus musculus |
| MRT | 0.37 | hr | Mus musculus |
| T1/2 | 0.88 | hr | Mus musculus |
| Tmax | 0.14 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.3 | nM | 8.48 | 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