Compound Detail
CHEMBL2164398
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 | CHEMBL2164398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYNZIQWDVRSPNB-UHFFFAOYSA-M |
| Parent Compound | CHEMBL2219916 |
| Active Moiety | CHEMBL2219916 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
5.92
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| T98G CHEMBL614775 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Hs 683 CHEMBL612596 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1700.0 | nM | 5.77 | Growth inhibition of human U373 cells after 3 days by MTT assay | 22770529 |
| T98G | IC50 | = | 2600.0 | nM | 5.58 | Growth inhibition of human T98G cells after 3 days by MTT assay | 22770529 |
| Hs 683 | IC50 | = | 3800.0 | nM | 5.42 | Growth inhibition of human Hs 683 cells after 3 days by MTT assay | 22770529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22770529 | 10.1021/jm300542e | NON-PROTEIN TARGET | 2 |
| 22770529 | 10.1021/jm300542e | OE33 | 1 |
| 22770529 | 10.1021/jm300542e | Hs 683 | 1 |
| 22770529 | 10.1021/jm300542e | T98G | 1 |
Data from ChEMBL 36 via Core Engine