Compound Detail
CHEMBL4094275
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
C[C@H](Oc1cc(-c2cnc3cc(OC4CCN(C)CC4)ccn23)ccc1C(N)=O)c1ccccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4094275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZQBPQVARIELDX-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
5.73
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MGC-803 CHEMBL3706566 | IC50 | 5.26 | 5.26 | 5510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MGC-803 | IC50 | = | 5510.0 | nM | 5.26 | Cytotoxicity against human MGC803 cells measured after 72 hrs by MTT assay | 28039836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28039836 | 10.1016/j.ejmech.2016.12.026 | MGC-803 | 1 |
| 28039836 | 10.1016/j.ejmech.2016.12.026 | Serine/threonine-protein kinase Nek2 | 1 |
Data from ChEMBL 36 via Core Engine