Compound Detail
CHEMBL44942
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Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@H]1CC[C@@H](N2CCCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL44942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDRZYBZCBYKLPL-ZRZAMGCNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
6.44
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.53 | 6.53 | 298.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 82.0 | nM | 7.09 | Inhibition of human p56 Lck tyrosine kinase (lck64-509) | 12039590 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 298.0 | nM | 6.53 | Inhibition of Src protein tyrosine kinase | 12039590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12039590 | 10.1016/s0960-894x(02)00195-6 | Tyrosine-protein kinase Lck | 1 |
| 12039590 | 10.1016/s0960-894x(02)00195-6 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 12039590 | 10.1016/s0960-894x(02)00195-6 | Vascular endothelial growth factor receptor 2 | 1 |
| 12039590 | 10.1016/s0960-894x(02)00195-6 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine