Compound Detail
CHEMBL3939639
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Basic Information
| ChEMBL ID | CHEMBL3939639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKZVWHVKFPRNLX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.44
ALogP
5
HBA
2
HBD
86.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.7
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | Kd | 7.7 | 7.7 | 20.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Kd | 7.52 | 7.52 | 30.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP3 | Kd | = | 20.0 | nM | 7.7 | Biochemical Assay: The identification of compounds capable of binding several PA... | - |
| Poly [ADP-ribose] polymerase 1 | Kd | = | 30.0 | nM | 7.52 | Biochemical Assay: The identification of compounds capable of binding several PA... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 70.0 | nM | 7.16 | PAR Assay: Studies were performed as follows: 6000 cells/well were seeded in 96 ... | - |
Data from ChEMBL 36 via Core Engine