Compound Detail
CHEMBL5758459
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Cc1cc(C(=O)C2CCN(C(=O)CC(C)(C)Cc3nc4ccccc4c(=O)[nH]3)CC2)ccc1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5758459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHNQPDNRQBXYJO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.01
ALogP
5
HBA
2
HBD
120.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 0.43 | nM | 9.37 | Biochemical Activity Assay: TNKS 1 and 2: The activity ELISA is performed in 384... | - |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 0.61 | nM | 9.21 | Biochemical Activity Assay: TNKS 1 and 2: The activity ELISA is performed in 384... | - |
Data from ChEMBL 36 via Core Engine