Compound Detail
CHEMBL4513768
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Basic Information
| ChEMBL ID | CHEMBL4513768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNLQNYOOKITUPG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4596788 |
| Active Moiety | CHEMBL4596788 |
4
Targets
8
Activities
1
Assay Types
14
PK Parameters
20
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.19
ALogP
8
HBA
1
HBD
70.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 10.0 | 8.904 | 0.1 | 5 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 804.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1470.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 542.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1955.0 | ng.hr.mL-1 | Mus musculus |
| CL | 39.6 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 70.7 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 401.04 | nM | Rattus norvegicus |
| Cmax | 851.88 | nM | Mus musculus |
| F | 36.0 | % | Rattus norvegicus |
| F | 68.0 | % | Mus musculus |
| T1/2 | 5.7 | hr | Rattus norvegicus |
| T1/2 | 3.9 | hr | Rattus norvegicus |
| T1/2 | 1.6 | hr | Mus musculus |
| T1/2 | 4.1 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine