Compound Detail
CHEMBL5402663
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 | CHEMBL5402663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEDGPCZYTWHFKH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
205.2
MW (Da)
1.95
ALogP
5
HBA
0
HBD
39.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of N-terminal MBP tagged/C-terminal TNKS2 (unknown origin) expressed ... | 36598465 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of N-terminal MBP tagged/C-terminal PARP10 (unknown origin) expressed... | 36598465 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of N-terminal MBP tagged/C-terminal PARP2 (unknown origin) expressed ... | 36598465 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of N-terminal MBP tagged/C-terminal PARP15 (unknown origin) expressed... | 36598465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Poly [ADP-ribose] polymerase 2 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP10 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP15 | 1 |
Data from ChEMBL 36 via Core Engine