Compound Detail
CHEMBL220737
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Basic Information
| ChEMBL ID | CHEMBL220737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDADLUIOHVLGRA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
2.98
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Ki 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.22 | 6.22 | 606.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 606.0 | nM | 6.22 | Displacement of [3H]flumazenil from benzodiazepine receptor in bovine brain memb... | 17335185 |
| Insulin-like growth factor 1 receptor | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of IGF-1R assessed as incorporation of p33 using [gammaP33]-ATP by mi... | 21524503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17335185 | 10.1021/jm0607707 | Unchecked | 1 |
| 21524503 | 10.1016/j.ejmech.2011.03.065 | Hepatocyte growth factor receptor | 1 |
| 21524503 | 10.1016/j.ejmech.2011.03.065 | Insulin-like growth factor 1 receptor | 1 |
| 21524503 | 10.1016/j.ejmech.2011.03.065 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine