Compound Detail
CHEMBL5570455
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Basic Information
| ChEMBL ID | CHEMBL5570455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRWVQSBHOYUUQD-BJMVGYQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.2
MW (Da)
4.14
ALogP
6
HBA
0
HBD
90.9
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.5 | 8.5 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 3.15 | nM | 8.5 | Inhibition of human PARP1 | 38838546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38838546 | 10.1016/j.ejmech.2024.116535 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine