Compound Detail
CHEMBL202426
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Basic Information
| ChEMBL ID | CHEMBL202426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQWFWGTVJCIEIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
3.05
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against human PARP1 expressed in PC12 cells | 16290935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16290935 | 10.1016/j.bmcl.2005.10.099 | Poly [ADP-ribose] polymerase 1 | 1 |
| 16359865 | 10.1016/j.bmcl.2005.11.086 | Poly [ADP-ribose] polymerase 1 | 1 |
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase kinase kinase 9 | 1 |
| 17266195 | 10.1021/jm051074u | Mitogen-activated protein kinase kinase kinase 11 | 1 |
Data from ChEMBL 36 via Core Engine