Compound Detail
CHEMBL2322617
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
O=C(CN1CCc2cccc3c2C1CNC3=O)N[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL2322617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITFKXJTWHCODGA-XLTVJXRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
3.51
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 490.0 | nM | 6.31 | Inhibition of human recombinant PARP1 after 1 hr by ELISA | 23473053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23473053 | 10.1021/jm301825t | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine