Compound Detail
CHEMBL100651
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Basic Information
| ChEMBL ID | CHEMBL100651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPAAYYSCJUHANG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.2
MW (Da)
5.18
ALogP
6
HBA
1
HBD
76.4
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.37 | 7.945 | 4.3 | 2 |
| Molecular identity unknown CHEMBL612546 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 4.3 | nM | 8.37 | Inhibition against Src kinase | 11689083 |
| Molecular identity unknown | IC50 | = | 4.3 | nM | 8.37 | Inhibition of tyrosine kinase (unknown origin) | 38781921 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Src protein tyrosine kinase | 12941315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689083 | 10.1021/jm0102250 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 12941315 | 10.1016/s0960-894x(03)00628-0 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 38781921 | 10.1016/j.ejmech.2024.116364 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine