Compound Detail
CHEMBL4851397
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CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4851397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDWWJJWQOYAYJG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
5.95
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 4.79 | 4.79 | 16360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 16360.0 | nM | 4.79 | Inhibition of N-terminal GST-tagged human TRKA (436 to 790 residues) expressed i... | 34171657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34171657 | 10.1016/j.ejmech.2021.113627 | High affinity nerve growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine