Compound Detail
CHEMBL5951962
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COc1ncc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4c(cnn4C)c(=O)[nH]3)CC2)cc1C
Basic Information
| ChEMBL ID | CHEMBL5951962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEJKSHFADGJFLY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
2.45
ALogP
8
HBA
1
HBD
123.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 1.8 | nM | 8.74 | Biochemical Activity Assay: TNKS 1 and 2: The activity ELISA is performed in 384... | - |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 2.2 | nM | 8.66 | Biochemical Activity Assay: TNKS 1 and 2: The activity ELISA is performed in 384... | - |
Data from ChEMBL 36 via Core Engine