Compound Detail
CHEMBL1836850
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O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(Cl)c1)N1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL1836850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUUXPGJNFRDNNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.9
MW (Da)
3.44
ALogP
7
HBA
3
HBD
103.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 CHEMBL4601 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of BRK pretreated for 30 mins by microplate reader | 21855335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21855335 | 10.1016/j.bmcl.2011.07.101 | Protein-tyrosine kinase 6 | 2 |
| 21855335 | 10.1016/j.bmcl.2011.07.101 | Aurora kinase B | 1 |
| 21855335 | 10.1016/j.bmcl.2011.07.101 | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine