Compound Detail
CHEMBL481603
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Basic Information
| ChEMBL ID | CHEMBL481603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCZAODKSIJSHQD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.27
ALogP
4
HBA
1
HBD
92.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 7.0 | 7.0 | 101.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of PARP2 | 20364863 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 101.0 | nM | 7.0 | Inhibition of human recombinant PARP1 | 19125579 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 101.0 | nM | 7.0 | Inhibition of PARP1 | 20364863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19125579 | 10.1021/jm800902t | Poly [ADP-ribose] polymerase 1 | 1 |
| 20364863 | 10.1021/jm100012m | Poly [ADP-ribose] polymerase 1 | 1 |
| 20364863 | 10.1021/jm100012m | Unchecked | 1 |
| 20364863 | 10.1021/jm100012m | Poly [ADP-ribose] polymerase 2 | 1 |
| 21417348 | 10.1021/jm1010918 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine