Compound Detail
CHEMBL254267
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Basic Information
| ChEMBL ID | CHEMBL254267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBUDBNJWJUFVEE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.4
MW (Da)
5.10
ALogP
7
HBA
1
HBD
81.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.41 | 5.965 | 390.0 | 2 |
| SH-SY5Y CHEMBL614910 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of TrkA | 18055203 |
| NON-PROTEIN TARGET | IC50 | = | 390.0 | nM | 6.41 | Antiproliferative activity against rat RKE cells expressing CD8-TrkA after 3 day... | 18055203 |
| SH-SY5Y | IC50 | = | 750.0 | nM | 6.12 | Antiproliferative activity against human SH-SY5Y cells after 3 days | 18055203 |
| NON-PROTEIN TARGET | IC50 | = | 3000.0 | nM | 5.52 | Antiproliferative activity against TrkA deficient rat RK3E cells after 3 days | 18055203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18055203 | 10.1016/j.bmcl.2007.11.076 | NON-PROTEIN TARGET | 2 |
| 18055203 | 10.1016/j.bmcl.2007.11.076 | High affinity nerve growth factor receptor | 1 |
| 18055203 | 10.1016/j.bmcl.2007.11.076 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine