Compound Detail
CHEMBL571703
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL571703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCUWZTRFTGLQCV-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
6.90
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.77 | 7.525 | 17.0 | 2 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 22.0 | % | Rattus norvegicus |
| T1/2 | 4.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant Braf V600E mutant | 19764794 |
| Angiopoietin-1 receptor | IC50 | = | 47.0 | nM | 7.33 | Inhibition of Tie2 | 19764794 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 53.0 | nM | 7.28 | Inhibition of Braf in human A375 cells assessed as inhibition of ERK phosphoryla... | 19764794 |
| Tyrosine-protein kinase Lck | IC50 | = | 81.0 | nM | 7.09 | Inhibition of LCK | 19764794 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 760.0 | nM | 6.12 | Inhibition of KDR | 19764794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19764794 | 10.1021/jm901081g | Rattus norvegicus | 4 |
| 19764794 | 10.1021/jm901081g | Serine/threonine-protein kinase B-raf | 2 |
| 19764794 | 10.1021/jm901081g | Angiopoietin-1 receptor | 1 |
| 19764794 | 10.1021/jm901081g | Tyrosine-protein kinase Lck | 1 |
| 19764794 | 10.1021/jm901081g | Vascular endothelial growth factor receptor 2 | 1 |
| 19764794 | 10.1021/jm901081g | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine