Compound Detail
CHEMBL4782515
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Basic Information
| ChEMBL ID | CHEMBL4782515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIBHJHBQKAMDOY-GQCTYLIASA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.99
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.88 | 7.88 | 13.2 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.93 | 6.86 | 118.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BDNF/NT-3 growth factors receptor | IC50 | = | 1.2 | nM | 8.92 | Inhibition of TrkB (unknown origin) using Tyr1 peptide as substrate in presence ... | 32702585 |
| NT-3 growth factor receptor | IC50 | = | 2.7 | nM | 8.57 | Inhibition of TrkC (unknown origin) using Tyr1 peptide as substrate in presence ... | 32702585 |
| High affinity nerve growth factor receptor | IC50 | = | 13.2 | nM | 7.88 | Inhibition of TrkA (unknown origin) using Tyr1 peptide as substrate in presence ... | 32702585 |
| BaF3 | IC50 | = | 118.0 | nM | 6.93 | Antiproliferative activity against mouse BaF3 cells transfected with wild type E... | 32702585 |
| BaF3 | IC50 | = | 133.0 | nM | 6.88 | Antiproliferative activity against mouse BaF3 cells transfected with wild type C... | 32702585 |
| BaF3 | IC50 | = | 169.0 | nM | 6.77 | Antiproliferative activity against mouse BaF3 cells transfected with wild type E... | 32702585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32702585 | 10.1016/j.ejmech.2020.112552 | BaF3 | 9 |
| 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