Compound Detail
CHEMBL339631
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Basic Information
| ChEMBL ID | CHEMBL339631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRHBAZUXKYNQEX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
2.88
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3740 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 1340.0 | nM | 5.87 | Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1... | 9857092 |
| Unchecked | IC50 | = | 1340.0 | nM | 5.87 | poly(ADP-ribose)-polymerase (PARP) inhibition | 11689065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857092 | 10.1021/jm980273t | Poly [ADP-ribose] polymerase 1 | 1 |
| 11689065 | 10.1021/jm010116l | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine