Compound Detail
CHEMBL172179
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Basic Information
| ChEMBL ID | CHEMBL172179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJBBKRZRJMHITR-ZROIWOOFSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
3.07
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor) | 15013000 |
| High affinity nerve growth factor receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of GST-fused TrkA (unknown origin) expressed in SF9 cells using H2N-R... | 27318978 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of c-Raf1 kinase | 15013000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013000 | 10.1016/j.bmcl.2003.12.002 | High affinity nerve growth factor receptor | 1 |
| 15013000 | 10.1016/j.bmcl.2003.12.002 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 15013000 | 10.1016/j.bmcl.2003.12.002 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 27318978 | 10.1016/j.ejmech.2016.06.003 | High affinity nerve growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine