Compound Detail
CHEMBL476643
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Basic Information
| ChEMBL ID | CHEMBL476643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCGXAWJRNVHWAI-NTEUORMPSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.66
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 7.33 | 6.15 | 46.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 46.34 | nM | 7.33 | Inhibition of TrkA (unknown origin) | 27318978 |
| High affinity nerve growth factor receptor | IC50 | = | 2760.0 | nM | 5.56 | Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfect... | 27318978 |
| High affinity nerve growth factor receptor | IC50 | = | 2760.58 | nM | 5.56 | Inhibition of GAL4 fused TrkA (unknown origin) expressed in PC12 cells transfect... | 27318978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27318978 | 10.1016/j.ejmech.2016.06.003 | High affinity nerve growth factor receptor | 3 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | ADMET | 1 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | Cytochrome P450 1A1 | 1 |
| 19200740 | 10.1016/j.bmc.2008.12.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine