Compound Detail
CHEMBL2079137
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Basic Information
| ChEMBL ID | CHEMBL2079137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXWRBNVDMIBRQV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.32
ALogP
6
HBA
1
HBD
74.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.28 | 6.28 | 521.0 | 2 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 5.8 | 5.8 | 1589.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 521.0 | nM | 6.28 | Inhibition Assay: Inhibition of human tyrosine kinases. | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 521.0 | nM | 6.28 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 1589.0 | nM | 5.8 | Inhibition Assay: Inhibition of human tyrosine kinases. | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 1589.0 | nM | 5.8 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
Data from ChEMBL 36 via Core Engine