Compound Detail
CHEMBL1814045
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Basic Information
| ChEMBL ID | CHEMBL1814045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTJJNONCTDMXKX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.3
MW (Da)
7.21
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of PARG using [alpha-32P]ADP-ribose polymers after 5 mins by TRAP ass... | 21692479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21692479 | 10.1021/jm200325s | Poly(ADP-ribose) glycohydrolase | 1 |
| 21692479 | 10.1021/jm200325s | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 21692479 | 10.1021/jm200325s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine