Compound Detail
CHEMBL460267
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL460267 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOHRTULIGFHGAL-QMMMGPOBSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
0.61
ALogP
3
HBA
3
HBD
100.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
EC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | Ki | = | 3.0 | nM | 8.52 | Inhibition of PARP2 | 18541433 |
| Poly [ADP-ribose] polymerase 1 | Ki | = | 16.0 | nM | 7.8 | Inhibition of PARP1 | 18541433 |
| Poly [ADP-ribose] polymerase 1 | EC50 | = | 180.0 | nM | 6.75 | Inhibition of PARP1 in human C41 cells | 18541433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18541433 | 10.1016/j.bmc.2008.05.044 | Poly [ADP-ribose] polymerase 1 | 2 |
| 18541433 | 10.1016/j.bmc.2008.05.044 | Poly [ADP-ribose] polymerase 2 | 1 |
Data from ChEMBL 36 via Core Engine