Compound Detail
CHEMBL4778721
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Basic Information
| ChEMBL ID | CHEMBL4778721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHGGEGBXSUZHQZ-GQCTYLIASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
5.20
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.63 | 7.63 | 23.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BDNF/NT-3 growth factors receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of TrkB (unknown origin) using Tyr1 peptide as substrate in presence ... | 32702585 |
| NT-3 growth factor receptor | IC50 | = | 7.8 | nM | 8.11 | Inhibition of TrkC (unknown origin) using Tyr1 peptide as substrate in presence ... | 32702585 |
| High affinity nerve growth factor receptor | IC50 | = | 23.3 | nM | 7.63 | Inhibition of TrkA (unknown origin) using Tyr1 peptide as substrate in presence ... | 32702585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32702585 | 10.1016/j.ejmech.2020.112552 | High affinity nerve growth factor receptor | 1 |
| 32702585 | 10.1016/j.ejmech.2020.112552 | BDNF/NT-3 growth factors receptor | 1 |
| 32702585 | 10.1016/j.ejmech.2020.112552 | NT-3 growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine