Compound Detail
CHEMBL107260
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 | CHEMBL107260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOVHSKFWPFRYIM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
-0.94
ALogP
8
HBA
2
HBD
133.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibitory activity against human recombinant PARP-1 | 12372530 |
| Poly [ADP-ribose] polymerase 1 | EC50 | = | 300.0 | nM | 6.52 | Concentration required to inhibit human recombinant PARP-1 was determined using ... | 12372530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372530 | 10.1016/s0960-894x(02)00602-9 | Poly [ADP-ribose] polymerase 1 | 2 |
| 12372530 | 10.1016/s0960-894x(02)00602-9 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine