Compound Detail
CHEMBL4528820
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C(=O)Nc1c(Cl)c(OC)cc(OC)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4528820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNBZPZWVOWGGOE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
677.6
MW (Da)
6.42
ALogP
10
HBA
4
HBD
133.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.41 | 6.41 | 391.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 391.0 | nM | 6.41 | Inhibition of recombinant human His-tagged FGFR1 (308 to 731 residues) expressed... | 31935084 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 940.0 | nM | 6.03 | Inhibition of recombinant human His-tagged full length SRC expressed in baculovi... | 31935084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31935084 | 10.1021/acs.jmedchem.9b01502 | Fibroblast growth factor receptor 1 | 1 |
| 31935084 | 10.1021/acs.jmedchem.9b01502 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine