Compound Detail
CHEMBL3889630
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Basic Information
| ChEMBL ID | CHEMBL3889630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUWRWDLVFRIMRG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
1.68
ALogP
4
HBA
1
HBD
86.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Ki | 10.0 | 10.0 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | Ki | = | 0.1 | nM | 10.0 | PARP Enzyme Inhibition Assay: PARP1 assay was conducted in PARP assay buffer con... | - |
| Poly [ADP-ribose] polymerase 1 | Ki | = | 0.1 | nM | 10.0 | PARP Enzyme Inhibition Assay: PARP1 assay was conducted in PARP assay buffer con... | - |
Data from ChEMBL 36 via Core Engine