Compound Detail
CHEMBL3901355
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 | CHEMBL3901355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZHWUQGNICKCJL-OVCLIPMQSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
1.57
ALogP
5
HBA
4
HBD
102.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.63 | 6.63 | 231.5 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.32 | 5.976 | 480.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 231.5 | nM | 6.63 | Inhibition of human N- terminal GST-tagged TrkA cytoplasmic domain (436 to 790 r... | 27856237 |
| NON-PROTEIN TARGET | IC50 | = | 480.0 | nM | 6.32 | Cytotoxicity against human MIAPaCa2 cells assessed as reduction in cell prolifer... | 27856237 |
| NON-PROTEIN TARGET | IC50 | = | 870.0 | nM | 6.06 | Cytotoxicity against human SKOV3 cells assessed as reduction in cell proliferati... | 27856237 |
| NON-PROTEIN TARGET | IC50 | = | 890.0 | nM | 6.05 | Cytotoxicity against human HCT15 cells assessed as reduction in cell proliferati... | 27856237 |
| NON-PROTEIN TARGET | IC50 | = | 1430.0 | nM | 5.84 | Cytotoxicity against human SK-MEL-2 cells assessed as reduction in cell prolifer... | 27856237 |
| NON-PROTEIN TARGET | IC50 | = | 2460.0 | nM | 5.61 | Cytotoxicity against human A549 cells assessed as reduction in cell proliferatio... | 27856237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27856237 | 10.1016/j.bmc.2016.11.005 | NON-PROTEIN TARGET | 5 |
| 27856237 | 10.1016/j.bmc.2016.11.005 | High affinity nerve growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine