Compound Detail
CHEMBL2414047
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Basic Information
| ChEMBL ID | CHEMBL2414047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INTOBQBKQVZYNK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.84
ALogP
3
HBA
2
HBD
58.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 5.25 | 5.25 | 5610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 5610.0 | nM | 5.25 | Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers fro... | 23849206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23849206 | 10.1016/j.bmc.2013.06.031 | Poly [ADP-ribose] polymerase 2 | 1 |
| 23849206 | 10.1016/j.bmc.2013.06.031 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine