Compound Detail
CHEMBL329706
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Basic Information
| ChEMBL ID | CHEMBL329706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFMADGYJLRYPSL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.17
ALogP
2
HBA
1
HBD
60.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Fibroblast growth factor receptor CHEMBL2095217 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | EC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 3600.0 | nM | 5.44 | Inhibitory activity against c-src tyrosine kinase | - |
| Fibroblast growth factor receptor | IC50 | = | 4700.0 | nM | 5.33 | Inhibitory activity against fibroblast growth factor receptor (FGFr) | - |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | EC50 | = | 11900.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ago... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10110-X | Fibroblast growth factor receptor | 1 |
| - | 10.1016/S0960-894X(97)10110-X | Platelet-derived growth factor receptor | 1 |
| - | 10.1016/S0960-894X(97)10110-X | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine