Compound Detail
CHEMBL5593271
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Basic Information
| ChEMBL ID | CHEMBL5593271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPBKVTTVRQECPJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.3
MW (Da)
4.00
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.6 | 5.675 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 250.0 | nM | 6.6 | Inhibition of TRKA (unknown origin) using TK peptide as substrate incubated for ... | 38029466 |
| High affinity nerve growth factor receptor | IC50 | = | 17800.0 | nM | 4.75 | Inhibition of TRKA (unknown origin) G595R mutant using TK peptide as substrate i... | 38029466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38029466 | 10.1016/j.ejmech.2023.115953 | High affinity nerve growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine