Compound Detail
CHEMBL5399492
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Basic Information
| ChEMBL ID | CHEMBL5399492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGNPEMNTGYOWBT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.8
MW (Da)
3.87
ALogP
7
HBA
1
HBD
77.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of N-terminal MBP tagged/C-terminal PARP15 (unknown origin) expressed... | 36598465 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of N-terminal MBP tagged/C-terminal TNKS2 (unknown origin) expressed ... | 36598465 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of N-terminal MBP tagged/C-terminal PARP2 (unknown origin) expressed ... | 36598465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Poly [ADP-ribose] polymerase 2 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP10 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP15 | 1 |
Data from ChEMBL 36 via Core Engine