Compound Detail
CHEMBL3947527
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C=CCn1nc(C)cc1C(=O)Nc1cc(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)ccc1C
Basic Information
| ChEMBL ID | CHEMBL3947527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MANWHVOLRGFEBV-ACCUITESSA-N |
2
Targets
2
Activities
2
Assay Types
3
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
5.61
ALogP
6
HBA
2
HBD
105.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.25
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.25 | 8.25 | 5.6 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9176.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 5539.42 | nM | Mus musculus |
| T1/2 | 2.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5.6 | nM | 8.25 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| Fibroblast growth factor receptor 1 | Ki | = | 12.0 | nM | 7.92 | Inhibition of human phosphorylated FGFR1 L457V/C488A/C584S mutant expressed in b... | - |
Data from ChEMBL 36 via Core Engine