Compound Detail
CHEMBL3901209
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Basic Information
| ChEMBL ID | CHEMBL3901209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFJMBXAFUUTYIR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
367.2
MW (Da)
3.98
ALogP
3
HBA
2
HBD
68.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | Kd | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 1.0 | nM | 9.0 | PAR Assay: Studies were performed as follows: 6000 cells/well were seeded in 96 ... | - |
| Protein mono-ADP-ribosyltransferase PARP3 | Kd | = | 10.0 | nM | 8.0 | Biochemical Assay: The identification of compounds capable of binding several PA... | - |
Data from ChEMBL 36 via Core Engine