Compound Detail
CHEMBL5779157
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O=C(Nc1ccc(C#Cc2cncc(-c3nnn(CCCO)n3)c2)cc1)Nc1cc(C(F)(F)F)ccc1F
Basic Information
| ChEMBL ID | CHEMBL5779157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOBSULBGQKFHGX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
4.32
ALogP
7
HBA
3
HBD
117.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 8.0 | nM | 8.1 | Kinase Assay: VEGFR2: Biochemical KDR kinase assays were performed in 96 well mi... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 8.0 | nM | 8.1 | VEGFR2 Kinase Assay: Biochemical KDR kinase assays were performed in 96 well mic... | - |
| Interferon-induced, double-stranded RNA-activated protein kinase | Ki | = | 10000.0 | nM | 5.0 | PDGFRβ Kinase Assay: Biochemical PDGFRβ kinase assays were performed in 96 well ... | - |
Data from ChEMBL 36 via Core Engine