Compound Detail
CHEMBL6055997
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N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccc3c4c(c(=O)[nH]c3c2)CCCN4)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL6055997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMWNTQXPBJQZET-ROUUACIJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.36
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 8.07 | 8.07 | 8.6 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| Non-receptor tyrosine-protein kinase TNK1 CHEMBL5334 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activated CDC42 kinase 1 | IC50 | = | 8.6 | nM | 8.07 | Inhibition Assay: The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 9.41 | nM | 8.03 | Inhibition Assay: The PARP-1 enzyme inhibitory activities of the compounds of th... | - |
| Non-receptor tyrosine-protein kinase TNK1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition Assay: The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of... | - |
Data from ChEMBL 36 via Core Engine