Compound Detail
CHEMBL2079164
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Basic Information
| ChEMBL ID | CHEMBL2079164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLPBHIMGPVMLNX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.72
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.68 | 5.68 | 2100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2100.0 | nM | 5.68 | Inhibition Assay: Inhibition of human tyrosine kinases. | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2100.0 | nM | 5.68 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
Data from ChEMBL 36 via Core Engine