Compound Detail
CHEMBL4282478
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1nc(C)c(Cn2c(=O)n(Cc3cnn(C)c3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
Basic Information
| ChEMBL ID | CHEMBL4282478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWKOOWUDRSFHOL-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
1.90
ALogP
10
HBA
1
HBD
120.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.22
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | EC50 | 8.22 | 7.96 | 6.0 | 2 |
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 97.0 | 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 | = | 6.0 | nM | 8.22 | Inhibition of human full length PARG using Bt-NAD ribosylated PARP1 substrate af... | 30403352 |
| Poly(ADP-ribose) glycohydrolase | IC50 | = | 6.0 | nM | 8.22 | PARG Assay: PARG In vitro assays were conducted in a total volume of 15 ul in a ... | - |
| Poly(ADP-ribose) glycohydrolase | EC50 | = | 20.0 | nM | 7.7 | 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