Compound Detail
CHEMBL4080163
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4080163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOIMOZIUYZYXLA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
1.25
ALogP
3
HBA
2
HBD
83.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 6.84 | 6.84 | 144.5 | 2 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.0 | 5.59 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 144.54 | nM | 6.84 | Inhibition of recombinant human N-terminal GST-tagged PARP2 (2 to 583 residues) ... | 27983846 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 145.0 | nM | 6.84 | Inhibition of recombinant human N-terminal GST-tagged PARP2 (2 to 583 residues) ... | 27983846 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of full length recombinant human N-terminal GST-tagged PARP1 expresse... | 27983846 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 6606.93 | nM | 5.18 | Inhibition of full length recombinant human N-terminal GST-tagged PARP1 expresse... | 27983846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Poly [ADP-ribose] polymerase 2 | 2 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Poly [ADP-ribose] polymerase 1 | 2 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Unchecked | 2 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Protein mono-ADP-ribosyltransferase PARP16 | 1 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Protein mono-ADP-ribosyltransferase PARP15 | 1 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Protein mono-ADP-ribosyltransferase PARP14 | 1 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Protein mono-ADP-ribosyltransferase PARP12 | 1 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Protein mono-ADP-ribosyltransferase PARP10 | 1 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Protein mono-ADP-ribosyltransferase PARP4 | 1 |
| 27983846 | 10.1021/acs.jmedchem.6b01574 | Protein mono-ADP-ribosyltransferase PARP3 | 1 |
Data from ChEMBL 36 via Core Engine