Compound Detail
CHEMBL3785244
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 | CHEMBL3785244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTODFGJEWYRAJL-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.09
ALogP
4
HBA
0
HBD
62.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.88 | 4.69 | 13210.0 | 2 |
| Bcap37 CHEMBL613842 | IC50 | 4.58 | 4.58 | 26070.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.28 | 4.28 | 52280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 13210.0 | nM | 4.88 | Cytotoxicity against human PC3 cells after 48 hrs by MTT assay | 26900656 |
| Bcap37 | IC50 | = | 26070.0 | nM | 4.58 | Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay | 26900656 |
| NON-PROTEIN TARGET | IC50 | = | 31330.0 | nM | 4.5 | Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay | 26900656 |
| HepG2 | IC50 | = | 52280.0 | nM | 4.28 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 26900656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26900656 | 10.1016/j.ejmech.2016.02.009 | NON-PROTEIN TARGET | 2 |
| 26900656 | 10.1016/j.ejmech.2016.02.009 | HepG2 | 1 |
| 26900656 | 10.1016/j.ejmech.2016.02.009 | Bcap37 | 1 |
Data from ChEMBL 36 via Core Engine