Compound Detail
CHEMBL5572418
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CC(C)(C)c1cccc(NC(=O)Nc2cccc(Nc3ccc4c(-c5cn[nH]c5)n[nH]c4c3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL5572418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEXJRGOHPWOLJP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
6.64
ALogP
4
HBA
5
HBD
110.5
PSA (Ų)
0.20
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TRKA (unknown origin) using TK peptide as substrate incubated for ... | 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