Compound Detail
CHEMBL3617774
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Basic Information
| ChEMBL ID | CHEMBL3617774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHKQQJFNVQMWOX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
3.25
ALogP
3
HBA
4
HBD
86.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 2.416 | nM | 8.62 | Inhibition of PARP1 (unknown origin) | 26342868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26342868 | 10.1016/j.bmcl.2015.08.060 | MCF7 | 1 |
| 26342868 | 10.1016/j.bmcl.2015.08.060 | NON-PROTEIN TARGET | 1 |
| 26342868 | 10.1016/j.bmcl.2015.08.060 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine