Compound Detail
CHEMBL4785469
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Basic Information
| ChEMBL ID | CHEMBL4785469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNTSEJJXGJAWBN-GQCTYLIASA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
5.02
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| BaF3 CHEMBL614524 | IC50 | 7.85 | 7.2725 | 14.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 1.5 | nM | 8.82 | Inhibition of TrkA (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 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 8.3 | nM | 8.08 | Inhibition of TrkB (unknown origin) using Tyr1 peptide as substrate in presence ... | 32702585 |
| BaF3 | IC50 | = | 14.0 | nM | 7.85 | Antiproliferative activity against mouse BaF3 cells transfected with wild type E... | 32702585 |
| BaF3 | IC50 | = | 34.0 | nM | 7.47 | Antiproliferative activity against mouse BaF3 cells transfected with wild type E... | 32702585 |
| BaF3 | IC50 | = | 35.0 | nM | 7.46 | Antiproliferative activity against mouse BaF3 cells transfected with wild type C... | 32702585 |
| BaF3 | IC50 | = | 489.0 | nM | 6.31 | Antiproliferative activity against mouse BaF3 cells assessed as cell viability m... | 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