Compound Detail
CHEMBL3594248
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Basic Information
| ChEMBL ID | CHEMBL3594248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWCXWQKUYMDYSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.63
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | Kd | 7.73 | 7.73 | 18.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | Kd | = | 18.5 | nM | 7.73 | Binding affinity to recombinant human N-terminal His-tagged TNKS2 (Ser959 to Gly... | 29934219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26110443 | 10.1021/np500951s | NON-PROTEIN TARGET | 2 |
| 29934219 | 10.1016/j.bmc.2018.06.019 | A549 | 2 |
| 26110443 | 10.1021/np500951s | Coxsackievirus B3 | 1 |
| 29934219 | 10.1016/j.bmc.2018.06.019 | Poly [ADP-ribose] polymerase 1 | 1 |
| 29934219 | 10.1016/j.bmc.2018.06.019 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 29934219 | 10.1016/j.bmc.2018.06.019 | Casein kinase II alpha/beta | 1 |
| 29934219 | 10.1016/j.bmc.2018.06.019 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 29934219 | 10.1016/j.bmc.2018.06.019 | Bromodomain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine