Compound Detail
CHEMBL440470
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 | CHEMBL440470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SURCGQGDUADKBL-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
0.84
ALogP
6
HBA
2
HBD
112.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.43
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 5.43 | 5.33 | 3720.0 | 2 |
| Tumor necrosis factor receptor superfamily member 16 CHEMBL4762 | IC50 | 5.43 | 5.43 | 3720.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL4220 | IC50 | 5.23 | 5.23 | 5880.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL4220 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor receptor superfamily member 16 | IC50 | = | 3720.0 | nM | 5.43 | Competitive binding against Nerve growth factor to p75-NGF receptor in PC12 cell... | 11931608 |
| High affinity nerve growth factor receptor | IC50 | = | 3720.0 | nM | 5.43 | Inhibition of NGF-stimulated Trk A in PC12 cells | 11931608 |
| High affinity nerve growth factor receptor | IC50 | = | 5880.0 | nM | 5.23 | Inhibition of NGF-stimulated Trk A | 11931608 |
| High affinity nerve growth factor receptor | IC50 | = | 5880.0 | nM | 5.23 | Inhibition of binding of [125I]-NGF to TrkA in rat PC12 cells incubated for 2 hr... | 27779399 |
| High affinity nerve growth factor receptor | EC50 | = | 22000.0 | nM | 4.66 | Inhibition of NGF-induced TrkA auto-phosphorylation in rat PC12 cells incubated ... | 27779399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27779399 | 10.1021/acs.jmedchem.6b00964 | High affinity nerve growth factor receptor | 4 |
| 27779399 | 10.1021/acs.jmedchem.6b00964 | Rattus norvegicus | 3 |
| 11931608 | 10.1021/jm010468s | High affinity nerve growth factor receptor | 2 |
| 27779399 | 10.1021/acs.jmedchem.6b00964 | Tumor necrosis factor receptor superfamily member 16 | 2 |
| 11931608 | 10.1021/jm010468s | Tumor necrosis factor receptor superfamily member 16 | 1 |
Data from ChEMBL 36 via Core Engine