Compound Detail
CHEMBL6034687
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)Cc1ccc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL6034687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOUHZJJPQGQXGA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
4.07
ALogP
5
HBA
1
HBD
86.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 5.3 | nM | 8.28 | Biochemical Activity Assay: TNKS 1 and 2: The activity ELISA is performed in 384... | - |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 14.0 | nM | 7.85 | Biochemical Activity Assay: TNKS 1 and 2: The activity ELISA is performed in 384... | - |
Data from ChEMBL 36 via Core Engine