Compound Detail
CHEMBL5200417
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 | CHEMBL5200417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOVJDCYOOZWRSE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
8
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
5.37
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HOS-TE85 CHEMBL614038 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1253.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 2298.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 2247.0 | mL.min-1.g-1 | Mus musculus |
| CL | 1646.0 | mL.min-1.g-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HOS-TE85 | IC50 | = | 8.8 | nM | 8.06 | Antiproliferative activity against human MNNG/HOS cells assessed as cell growth ... | 34861640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34861640 | 10.1016/j.ejmech.2021.114010 | ADMET | 4 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | HOS-TE85 | 2 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | No relevant target | 2 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | SJSA-1 | 1 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | U2OS | 1 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | HOS | 1 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | MG-63 | 1 |
| 34861640 | 10.1016/j.ejmech.2021.114010 | 143B | 1 |
Data from ChEMBL 36 via Core Engine