Compound Detail
CHEMBL488061
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CN(C)[C@@H]1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc32)C1
Basic Information
| ChEMBL ID | CHEMBL488061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXUXJARSJNHIBD-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
5.26
ALogP
8
HBA
2
HBD
74.1
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activated CDC42 kinase 1 CHEMBL4599 | Ki | 8.0 | 7.85 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activated CDC42 kinase 1 | Ki | = | 10.0 | nM | 8.0 | Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) expressed in SF9 ce... | 18993068 |
| Activated CDC42 kinase 1 | Ki | = | 20.0 | nM | 7.7 | Inhibition of flag-tagged ACK1 autophosphorylation expressed in human 293 cells | 18993068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18993068 | 10.1016/j.bmcl.2008.10.092 | Activated CDC42 kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine