Compound Detail
CHEMBL4278621
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Basic Information
| ChEMBL ID | CHEMBL4278621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQWQMWPUWTWEIR-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
1.19
ALogP
8
HBA
1
HBD
108.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.54
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | EC50 | 7.54 | 7.395 | 29.0 | 2 |
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 81.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase | EC50 | = | 29.0 | nM | 7.54 | Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate af... | 30403352 |
| Poly(ADP-ribose) glycohydrolase | IC50 | = | 29.0 | nM | 7.54 | PARG Assay: PARG In vitro assays were conducted in a total volume of 15 ul in a ... | - |
| Poly(ADP-ribose) glycohydrolase | EC50 | = | 56.0 | nM | 7.25 | Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR ... | 30403352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30403352 | 10.1021/acs.jmedchem.8b01407 | Poly(ADP-ribose) glycohydrolase | 2 |
| 30403352 | 10.1021/acs.jmedchem.8b01407 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine