Compound Detail
CHEMBL4873003
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COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(C)C2=O)C2(CCN(C)CC2)C(=O)N4)c1F
Basic Information
| ChEMBL ID | CHEMBL4873003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKYAEOVZIXOJNP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
2.87
ALogP
6
HBA
1
HBD
87.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human FGFR1 using biotinylated-EQEDEPEGDYFEWLE peptide as substrat... | 34269576 |
| Unchecked | IC50 | = | 84.0 | nM | 7.08 | Antiproliferative activity against human B49 assessed as inhibition of cell prol... | 34269576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Fibroblast growth factor receptor 1 | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | NCI-H1581 | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine