Compound Detail
CHEMBL5403002
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Basic Information
| ChEMBL ID | CHEMBL5403002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDFJZWIJMDJOBU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
205.2
MW (Da)
1.96
ALogP
5
HBA
1
HBD
50.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.27 | 5.27 | 5370.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of N-terminal MBP tagged/C-terminal PARP10 (unknown origin) expressed... | 36598465 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 5370.32 | nM | 5.27 | Inhibition of N-terminal MBP tagged/C-terminal PARP10 (unknown origin) expressed... | 36598465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP10 | 2 |
| 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 PARP15 | 1 |
Data from ChEMBL 36 via Core Engine