Compound Detail
CHEMBL3605994
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Basic Information
| ChEMBL ID | CHEMBL3605994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSXCZROERMGUME-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
1.62
ALogP
3
HBA
1
HBD
66.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | Kd | 6.36 | 5.0267 | 441.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | Kd | = | 441.0 | nM | 6.36 | Binding affinity to full length recombinant human PARP-2 by fluorescence polariz... | 26222319 |
| Poly [ADP-ribose] polymerase 2 | Kd | = | 44000.0 | nM | 4.36 | Biochemical Assay: Preferably, for the screening method above cited, both the PA... | - |
| Poly [ADP-ribose] polymerase 2 | Kd | = | 44000.0 | nM | 4.36 | Biochemical Assay: The assay is based on the use of a probe of formula (IP) that... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26222319 | 10.1021/acs.jmedchem.5b00680 | Poly [ADP-ribose] polymerase 2 | 1 |
| 26222319 | 10.1021/acs.jmedchem.5b00680 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine