Compound Detail
CHEMBL3696943
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Basic Information
| ChEMBL ID | CHEMBL3696943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKNIDSUYOQTONF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
1.86
ALogP
4
HBA
2
HBD
87.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | IC50 | 5.7 | 5.7 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 30.0 | nM | 7.52 | Chemiluminescent PARP Assay: PARP assays are conducted using a chemiluminescent ... | - |
| Casein kinase II subunit alpha | IC50 | = | 2000.0 | nM | 5.7 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
| Casein kinase II subunit alpha | IC50 | = | 2000.0 | nM | 5.7 | In Vitro Cell-Free Assay: Test compounds in aqueous solution were added at a vol... | - |
Data from ChEMBL 36 via Core Engine