Compound Detail
CHEMBL4077119
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O=C1Cc2cc(-c3cc(N[C@@H](CO)c4ccccc4)cnc3-c3cc(Cl)ccc3O)ccc2N1
Basic Information
| ChEMBL ID | CHEMBL4077119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGVJHXBKRDWBLJ-DEOSSOPVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.9
MW (Da)
5.41
ALogP
5
HBA
4
HBD
94.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.04 | 7.04 | 91.5 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 6.81 | 6.81 | 153.5 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 6.23 | 6.23 | 591.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 91.5 | nM | 7.04 | Inhibition of recombinant human FGFR1 using poly (Glu,Tyr) 4:1 as substrate afte... | 28714692 |
| Fibroblast growth factor receptor 2 | IC50 | = | 153.5 | nM | 6.81 | Inhibition of recombinant human FGFR2 using poly (Glu,Tyr) 4:1 as substrate afte... | 28714692 |
| Fibroblast growth factor receptor 3 | IC50 | = | 591.5 | nM | 6.23 | Inhibition of recombinant human FGFR3 using poly (Glu,Tyr) 4:1 as substrate afte... | 28714692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28714692 | 10.1021/acs.jmedchem.7b00076 | Fibroblast growth factor receptor 2 | 1 |
| 28714692 | 10.1021/acs.jmedchem.7b00076 | Fibroblast growth factor receptor 1 | 1 |
| 28714692 | 10.1021/acs.jmedchem.7b00076 | Fibroblast growth factor receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine