Compound Detail
CHEMBL4541330
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C=CC(=O)NCc1ccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2oc3ccc(C)cc3c2C)cc1
Basic Information
| ChEMBL ID | CHEMBL4541330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXIHBWCRCZNSHX-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.52
ALogP
7
HBA
3
HBD
131.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KG-1 CHEMBL612264 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| SNU-16 CHEMBL613529 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.01 | 7.725 | 9.8 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.9 | 7.9 | 12.5 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.79 | 7.79 | 16.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KG-1 | IC50 | = | 0.6 | nM | 9.22 | Antiproliferative activity against human KG1 cells measured after 72 hrs by CCK8... | 31335138 |
| SNU-16 | IC50 | = | 1.3 | nM | 8.89 | Antiproliferative activity against human SNU16 cells measured after 72 hrs by CC... | 31335138 |
| Fibroblast growth factor receptor 2 | IC50 | = | 6.6 | nM | 8.18 | Inhibition of human FGFR2 using poly (Glu, Tyr)4:1 as substrate measured after 6... | 31335138 |
| Unchecked | IC50 | = | 9.8 | nM | 8.01 | Antiproliferative activity against mouse BaF3/TEL-FGFR1 cells measured after 72 ... | 31335138 |
| Fibroblast growth factor receptor 3 | IC50 | = | 12.5 | nM | 7.9 | Inhibition of human FGFR3 using poly (Glu, Tyr)4:1 as substrate measured after 6... | 31335138 |
| Fibroblast growth factor receptor 1 | IC50 | = | 16.3 | nM | 7.79 | Inhibition of human FGFR1 using poly (Glu, Tyr)4:1 as substrate measured after 6... | 31335138 |
| Unchecked | IC50 | = | 36.4 | nM | 7.44 | Antiproliferative activity against human UMUC14 cells measured after 72 hrs by C... | 31335138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Unchecked | 3 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Epidermal growth factor receptor | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | SNU-16 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Platelet-derived growth factor receptor beta | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Vascular endothelial growth factor receptor 1 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Tyrosine-protein kinase ABL1 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Ephrin type-A receptor 2 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Receptor tyrosine-protein kinase erbB-4 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Fibroblast growth factor receptor 1 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | ALK tyrosine kinase receptor | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Hepatocyte growth factor receptor | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Vascular endothelial growth factor receptor 2 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Fibroblast growth factor receptor 4 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Fibroblast growth factor receptor 3 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | Fibroblast growth factor receptor 2 | 1 |
| 31335138 | 10.1021/acs.jmedchem.9b00510 | KG-1 | 1 |
Data from ChEMBL 36 via Core Engine