Compound Detail
CHEMBL4290650
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Basic Information
| ChEMBL ID | CHEMBL4290650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWNJBYGFPRLQHH-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
2.54
ALogP
4
HBA
1
HBD
80.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.52
Kd 1 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | Kd | 8.84 | 8.84 | 1.4 | 1 |
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | EC50 | 4.52 | 4.305 | 30000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase | Kd | = | 1.45 | nM | 8.84 | Binding affinity to human PARG assessed as dissociation constant by SPR analysis | 35581674 |
| Poly(ADP-ribose) glycohydrolase | EC50 | = | 30000.0 | nM | 4.52 | Inhibition of PARG in human HeLa cells assessed as induction of MMS-induced PAR ... | 30403352 |
| Poly(ADP-ribose) glycohydrolase | EC50 | = | 81000.0 | nM | 4.09 | Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate af... | 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 | No relevant target | 2 |
| 30403352 | 10.1021/acs.jmedchem.8b01407 | HeLa | 1 |
| 35581674 | 10.1021/acs.jmedchem.2c00228 | Poly(ADP-ribose) glycohydrolase | 1 |
Data from ChEMBL 36 via Core Engine