Compound Detail
CHEMBL306785
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Basic Information
| ChEMBL ID | CHEMBL306785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGBGQRANCYITIY-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.2
MW (Da)
1.92
ALogP
6
HBA
5
HBD
114.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.0
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| ADMET CHEMBL612558 | Ki | 6.0 | 5.1317 | 990.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1000.0 | nM | 6.0 | Tested for in vitro inhibitory activity against tyrosine protein kinase pp60 c-s... | 7518523 |
| ADMET | Ki | = | 990.0 | nM | 6.0 | Reaction rate parameter value for phosphate with transfer with respect to ATP | 7518523 |
| ADMET | Ki | = | 1050.0 | nM | 5.98 | Reaction rate parameter value for phosphate with transfer with respect to ATP | 7518523 |
| ADMET | Ki | = | 4410.0 | nM | 5.36 | Reaction rate parameter value for phosphate with transfer with respect to ATP | 7518523 |
| ADMET | Ki | = | 24670.0 | nM | 4.61 | Reaction rate parameter value for phosphate with transfer with respect to ATP | 7518523 |
| ADMET | Ki | = | 36730.0 | nM | 4.43 | Reaction rate parameter value for phosphate with transfer with respect to ATP | 7518523 |
| ADMET | Ki | = | 39000.0 | nM | 4.41 | Reaction rate parameter value for phosphate with transfer with respect to ATP | 7518523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7518523 | 10.1021/jm00040a015 | ADMET | 22 |
| 7518523 | 10.1021/jm00040a015 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 7518523 | 10.1021/jm00040a015 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine