Compound Detail
CHEMBL1767068
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Basic Information
| ChEMBL ID | CHEMBL1767068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBIQKJHXTSLLBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
4.83
ALogP
3
HBA
1
HBD
49.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL2794 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation... | 21417348 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ ... | 21417348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417348 | 10.1021/jm1010918 | Poly [ADP-ribose] polymerase 1 | 1 |
| 21417348 | 10.1021/jm1010918 | Poly [ADP-ribose] polymerase 2 | 1 |
| 21417348 | 10.1021/jm1010918 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine