Compound Detail
CHEMBL1813887
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
Basic Information
| ChEMBL ID | CHEMBL1813887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCBPIBHPWHIERP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
6.24
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 66000.0 | nM | 4.18 | Inhibition of PARP-1 using [32P]-NAD+ after 15 mins | 21692479 |
| Poly(ADP-ribose) glycohydrolase | IC50 | = | 72000.0 | nM | 4.14 | 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 | Poly [ADP-ribose] polymerase 1 | 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