Compound Detail
CHEMBL171311
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Basic Information
| ChEMBL ID | CHEMBL171311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIBZQFWTFLOHJD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.46
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3655 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 440.0 | nM | 6.36 | Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity | 11277535 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 600.0 | nM | 6.22 | Inhibition of p60 c-Src tyrosine kinase activity | 11277535 |
| Tyrosine-protein kinase ABL | IC50 | = | 10500.0 | nM | 4.98 | Inhibition of v-Abl tyrosine kinase activity | 11277535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11277535 | 10.1016/s0960-894x(01)00079-8 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 11277535 | 10.1016/s0960-894x(01)00079-8 | Epidermal growth factor receptor | 1 |
| 11277535 | 10.1016/s0960-894x(01)00079-8 | Tyrosine-protein kinase ABL | 1 |
Data from ChEMBL 36 via Core Engine