Compound Detail
CHEMBL5557168
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 | CHEMBL5557168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNPOQHRNERRRPI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
2.70
ALogP
7
HBA
1
HBD
118.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HOS-TE85 CHEMBL614038 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 992.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 2030.0 | mL.min-1.g-1 | Mus musculus |
| F | 1.94 | % | Homo sapiens |
| F | 2.14 | % | Mus musculus |
| T1/2 | 0.03533 | hr | Homo sapiens |
| T1/2 | 0.01717 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HOS-TE85 | IC50 | = | 6.0 | nM | 8.22 | Antiproliferative activity against human MNNG/HOS cells assessed as inhibition o... | 38232462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38232462 | 10.1016/j.ejmech.2023.116082 | ADMET | 6 |
| 38232462 | 10.1016/j.ejmech.2023.116082 | HOS-TE85 | 1 |
Data from ChEMBL 36 via Core Engine