Compound Detail
CHEMBL5754419
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CCNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)c(Br)c1
Basic Information
| ChEMBL ID | CHEMBL5754419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCONNUWWGIRXAF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.5
MW (Da)
3.72
ALogP
5
HBA
3
HBD
80.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| Non-receptor tyrosine-protein kinase TNK1 CHEMBL5334 | IC50 | 7.76 | 7.76 | 17.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 7.11 | nM | 8.15 | Inhibition Assay: The PARP-1 enzyme inhibitory activities of the compounds of th... | - |
| Non-receptor tyrosine-protein kinase TNK1 | IC50 | = | 17.3 | nM | 7.76 | Inhibition Assay: The tankyrase-1 or tankyrase-2 enzyme inhibitory activities of... | - |
Data from ChEMBL 36 via Core Engine