Compound Detail
CHEMBL5429933
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Cn1ccc(-c2cc(C(=O)Nc3cc(OP(=O)(O)O)cnc3-c3ccccc3)ccc2C(F)(F)F)n1
Basic Information
| ChEMBL ID | CHEMBL5429933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBBDQHIVMQMVCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
518.4
MW (Da)
4.89
ALogP
6
HBA
3
HBD
126.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.1 | 6.1 | 798.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 798.0 | nM | 6.1 | Inhibition of TRKA (unknown origin) using Kinase substrate 22 pre-incubated with... | 36423414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36423414 | 10.1016/j.ejmech.2022.114901 | High affinity nerve growth factor receptor | 3 |
| 36423414 | 10.1016/j.ejmech.2022.114901 | BDNF/NT-3 growth factors receptor | 1 |
| 36423414 | 10.1016/j.ejmech.2022.114901 | NT-3 growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine