Compound Detail
CHEMBL5841887
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Basic Information
| ChEMBL ID | CHEMBL5841887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTUOUNZQEMLCAU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
2.58
ALogP
6
HBA
2
HBD
94.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP6 CHEMBL2380187 | 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 | = | 3.0 | nM | 8.52 | Fluorescence Anisotropy Binding Assay: PARP1: Recombinant full length 6HIS tagge... | - |
| Protein mono-ADP-ribosyltransferase PARP3 | IC50 | = | 4500.0 | nM | 5.35 | Fluorescence Anisotropy Binding Assay: PARP3: Recombinant full length PARP3 prot... | - |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 7600.0 | nM | 5.12 | Fluorescence Anisotropy Binding Assay: PARP2: Recombinant full length PARP2 prot... | - |
| Protein mono-ADP-ribosyltransferase PARP6 | IC50 | = | 10000.0 | nM | 5.0 | Fluorescence Anisotropy Binding Assay: PARP6: Recombinant full length GST tagged... | - |
Data from ChEMBL 36 via Core Engine