Compound Detail
CHEMBL4563120
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C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1-c1ccc(OC)nc1
Basic Information
| ChEMBL ID | CHEMBL4563120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAEYWKWSXPSJHE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
4.91
ALogP
9
HBA
3
HBD
107.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6.0 | nM | 8.22 | Inhibition of recombinant human His-tagged full length SRC expressed in baculovi... | 31935084 |
| Fibroblast growth factor receptor 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of recombinant human His-tagged FGFR1 (308 to 731 residues) expressed... | 31935084 |
| Mitogen-activated protein kinase kinase kinase 7 | IC50 | = | 1890.0 | nM | 5.72 | Inhibition of tracer 222 binding to recombinant human His-tagged TAK1 (437 to 50... | 31935084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31935084 | 10.1021/acs.jmedchem.9b01502 | Mitogen-activated protein kinase kinase kinase 7 | 1 |
| 31935084 | 10.1021/acs.jmedchem.9b01502 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 31935084 | 10.1021/acs.jmedchem.9b01502 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine