Compound Detail
CHEMBL61745
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Basic Information
| ChEMBL ID | CHEMBL61745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUYOSBQKQPUNJK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
240.2
MW (Da)
3.60
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Ki 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 6.68 | 6.68 | 208.9 | 2 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 208.93 | nM | 6.68 | Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence... | 24116873 |
| Poly [ADP-ribose] polymerase tankyrase-1 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human TNKS1 (1030 to 1317) using NAD+ as substrate by fluorescence... | 24116873 |
| GABA-A receptor; anion channel | Ki | = | 4500.0 | nM | 5.35 | Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine re... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24116873 | 10.1021/jm401463y | Poly [ADP-ribose] polymerase tankyrase-1 | 2 |
| 28408221 | 10.1016/j.bmcl.2017.03.057 | RAW264.7 | 2 |
| - | 10.1016/S0960-894X(97)00343-0 | GABA-A receptor; anion channel | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 469554 | 10.1021/np50001a002 | Lewis lung carcinoma cell line | 1 |
| 469554 | 10.1021/np50001a002 | CCRF S-180 | 1 |
Data from ChEMBL 36 via Core Engine