Compound Detail
CHEMBL3605975
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 | CHEMBL3605975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDTLVPAVHMUAEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
0.07
ALogP
4
HBA
1
HBD
75.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Kd | 6.8 | 6.8 | 160.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | Kd | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | Kd | = | 160.0 | nM | 6.8 | Binding affinity to full length recombinant human PARP-1 by fluorescence polariz... | 26222319 |
| Poly [ADP-ribose] polymerase 2 | Kd | = | 580.0 | nM | 6.24 | Biochemical Assay: Preferably, for the screening method above cited, both the PA... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26222319 | 10.1021/acs.jmedchem.5b00680 | Poly [ADP-ribose] polymerase 1 | 1 |
Data from ChEMBL 36 via Core Engine