Compound Detail
CHEMBL4848360
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
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc4[nH]ccc4c3)nc12
Basic Information
| ChEMBL ID | CHEMBL4848360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAJKENOPSPMRCK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
635.8
MW (Da)
4.79
ALogP
9
HBA
2
HBD
133.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.5 | 7.5 | 31.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 31.66 | nM | 7.5 | Inhibition of PARP1 (unknown origin) using biotin-NAD+ as substrate incubated fo... | 33740547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33740547 | 10.1016/j.ejmech.2021.113357 | Poly [ADP-ribose] polymerase 1 | 1 |
| 33740547 | 10.1016/j.ejmech.2021.113357 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine