Compound Detail
CHEMBL5070239
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Nc1ncnc2c1c(-c1cc(F)cc(C(F)(F)F)c1)nn2CCCCCN1CCN(C(=O)/C=C/C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5070239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAJMNJHLDPNTLS-SNAWJCMRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
573.5
MW (Da)
4.67
ALogP
7
HBA
1
HBD
93.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 5.62 | 5.62 | 2401.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of human FGFR2 (458 to 768 residues) expressed in Escherichia coli BL... | 34129329 |
| Fibroblast growth factor receptor 3 | IC50 | = | 97.0 | nM | 7.01 | Inhibition of human FGFR3 (450 to 758 residues) expressed in Escherichia coli BL... | 34129329 |
| Fibroblast growth factor receptor 1 | IC50 | = | 101.0 | nM | 7.0 | Inhibition of human FGFR1 (459 to 765 residues) expressed in Escherichia coli BL... | 34129329 |
| Fibroblast growth factor receptor 4 | IC50 | = | 2401.0 | nM | 5.62 | Inhibition of human FGFR4 (445 to 753 residues) expressed in Escherichia coli BL... | 34129329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34129329 | 10.1021/acs.jmedchem.1c00174 | Fibroblast growth factor receptor 1 | 1 |
| 34129329 | 10.1021/acs.jmedchem.1c00174 | Fibroblast growth factor receptor 2 | 1 |
| 34129329 | 10.1021/acs.jmedchem.1c00174 | Fibroblast growth factor receptor 3 | 1 |
| 34129329 | 10.1021/acs.jmedchem.1c00174 | Fibroblast growth factor receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine