Compound Detail
CHEMBL417002
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Basic Information
| ChEMBL ID | CHEMBL417002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCDIJMIIBFKZPR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185488 |
| Active Moiety | CHEMBL1185488 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.86
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 36.0 | nM | 7.44 | Inhibitory concentration against purified recombinant human Poly (ADP-ribose) po... | 11425538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425538 | 10.1016/s0960-894x(01)00281-5 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine