Compound Detail
CHEMBL338194
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COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(CCO)CC4)c(OC)cc23)c(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL338194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCFYFSXVZCZHBK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
560.5
MW (Da)
4.55
ALogP
9
HBA
2
HBD
103.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 0.76 | nM | 9.12 | Inhibition against Src kinase | 11689083 |
| Rattus norvegicus | IC50 | = | 610.0 | nM | 6.21 | Ability to inhibit the proliferation of c-Src transformed rat fibroblasts growin... | 11689083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689083 | 10.1021/jm0102250 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 11689083 | 10.1021/jm0102250 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine