Compound Detail
CHEMBL3763705
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 | CHEMBL3763705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMSFRGANEKOQBU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
1.22
ALogP
8
HBA
2
HBD
106.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
IC50 1 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.72 | 5.72 | 1920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 2.88 | nM | 8.54 | Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate s... | 26652717 |
| NON-PROTEIN TARGET | EC50 | = | 1920.0 | nM | 5.72 | Cytotoxicity against BRCA2-deficient human Capan1 cells | 26652717 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26652717 | 10.1021/acs.jmedchem.5b01498 | Poly [ADP-ribose] polymerase 1 | 1 |
| 26652717 | 10.1021/acs.jmedchem.5b01498 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine