Compound Detail
CHEMBL3955609
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Basic Information
| ChEMBL ID | CHEMBL3955609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWPOZLNCERCETA-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
2.77
ALogP
4
HBA
2
HBD
86.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.05 | 8.05 | 8.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 0.5 | nM | 9.3 | PARP-2 and PARP-3 Enzymatic Assay: PARP-2 and PARP-3 enzymatic assays were condu... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 8.9 | nM | 8.05 | PARP-1 Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modi... | - |
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Enzymatic Assay: PARP-2 and PARP-3 enzymatic assays were conducted using commerc... | - |
Data from ChEMBL 36 via Core Engine