Compound Detail
CHEMBL5788476
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C[C@H]1CN(c2ccc(C#N)c(F)c2)CCN1Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
Basic Information
| ChEMBL ID | CHEMBL5788476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOASXIFPFLUWRH-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
3.61
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
| Non-receptor tyrosine-protein kinase TNK1 CHEMBL5334 | IC50 | 7.97 | 7.97 | 10.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activated CDC42 kinase 1 | IC50 | = | 3.49 | nM | 8.46 | Inhibition Assay: The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 10.3 | nM | 7.99 | Inhibition Assay: The PARP-1 enzyme inhibitory activities of the compounds of th... | - |
| Non-receptor tyrosine-protein kinase TNK1 | IC50 | = | 10.7 | nM | 7.97 | Inhibition Assay: The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of... | - |
Data from ChEMBL 36 via Core Engine