Compound Detail
CHEMBL3648039
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 | CHEMBL3648039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VATOEUXNKZGEPM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
4.75
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.05 | 8.05 | 8.9 | 2 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 7.18 | 7.18 | 66.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 8.9 | nM | 8.05 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 8.9 | nM | 8.05 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
| Ephrin type-B receptor 4 | IC50 | = | 66.0 | nM | 7.18 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Ephrin type-B receptor 4 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of active N-terminal His6-tagged human recombinant EphB4 (amino acids... | - |
Data from ChEMBL 36 via Core Engine