Compound Detail
CHEMBL5186552
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Basic Information
| ChEMBL ID | CHEMBL5186552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADHIYNKWKQQREL-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.60
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| KM12 CHEMBL614709 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 54.3 | mL.min-1.g-1 | Homo sapiens |
| CL | 48.8 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.425 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BDNF/NT-3 growth factors receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of N-terminal human TRKB (456 to 822 residues) expressed in baculovir... | 35617855 |
| NT-3 growth factor receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of N-terminal human TRKC (456 to 825 residues) expressed in baculovir... | 35617855 |
| KM12 | IC50 | = | 23.0 | nM | 7.64 | Antiproliferative activity against human KM12 cells assessed as inhibition of ce... | 35617855 |
| High affinity nerve growth factor receptor | IC50 | = | 27.0 | nM | 7.57 | Inhibition of N-terminal human TRKA (436 to 790 residues) expressed in baculovir... | 35617855 |
| BaF3 | IC50 | = | 440.0 | nM | 6.36 | Antiproliferative activity against mouse BaF3 cells harboring TRKA G595R mutant ... | 35617855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35617855 | 10.1016/j.ejmech.2022.114451 | ADMET | 5 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | High affinity nerve growth factor receptor | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | BDNF/NT-3 growth factors receptor | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | NT-3 growth factor receptor | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | KM12 | 1 |
| 35617855 | 10.1016/j.ejmech.2022.114451 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine