Compound Detail
CHEMBL4469795
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Cc1c(C#Cc2cnc3cnc(-c4ccccc4)cn23)cccc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4469795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLFFJXBANCVTJV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
608.7
MW (Da)
6.12
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 7.78 | 7.78 | 16.8 | 1 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 7.64 | 7.64 | 22.7 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.54 | 7.54 | 29.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NT-3 growth factor receptor | IC50 | = | 16.8 | nM | 7.78 | Inhibition of recombinant human His-tagged TrkC cytoplasmic domain (510 to 825 r... | 31271959 |
| BDNF/NT-3 growth factors receptor | IC50 | = | 22.73 | nM | 7.64 | Inhibition of recombinant human His-tagged TrkB catalytic domain (526 to 838 res... | 31271959 |
| High affinity nerve growth factor receptor | IC50 | = | 29.2 | nM | 7.54 | Inhibition of recombinant human His-tagged TrkA catalytic domain (441 to 796 res... | 31271959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31271959 | 10.1016/j.ejmech.2019.06.064 | High affinity nerve growth factor receptor | 1 |
| 31271959 | 10.1016/j.ejmech.2019.06.064 | BDNF/NT-3 growth factors receptor | 1 |
| 31271959 | 10.1016/j.ejmech.2019.06.064 | NT-3 growth factor receptor | 1 |
| 31271959 | 10.1016/j.ejmech.2019.06.064 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine