Compound Detail
CHEMBL3651269
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Basic Information
| ChEMBL ID | CHEMBL3651269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKKYOSCAKSXOJA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
5.76
ALogP
5
HBA
2
HBD
70.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.55 | 6.55 | 281.0 | 2 |
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 6.33 | 6.33 | 465.0 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.22 | 6.22 | 596.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 281.0 | nM | 6.55 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 281.0 | nM | 6.55 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
| Tyrosine-protein kinase Yes | IC50 | = | 465.0 | nM | 6.33 | Inhibition of human recombinant Yes using PTK2 substrate incubated for 90 mins b... | - |
| Ephrin type-B receptor 4 | IC50 | = | 596.0 | nM | 6.22 | Inhibition of active N-terminal His6-tagged human recombinant EphB4 (amino acids... | - |
Data from ChEMBL 36 via Core Engine