Compound Detail
CHEMBL192679
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CN1CCN(Cc2ccc(-c3cc4ncc(C#N)c(Nc5ccc(Oc6ccccc6)cc5)c4s3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL192679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIGBGWFSVCHGQW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.7
MW (Da)
7.12
ALogP
7
HBA
1
HBD
64.4
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 140.0 | nM | 6.85 | Inhibition of Src protein tyrosine kinase in LANCE format enzyme assay | 15916442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916442 | 10.1021/jm050175p | Proto-oncogene tyrosine-protein kinase Src | 2 |
Data from ChEMBL 36 via Core Engine