Compound Detail
CHEMBL1584950
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Basic Information
| ChEMBL ID | CHEMBL1584950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFWUPFYTTMMSTH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.16
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL2794 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9071.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ ... | 21417348 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation... | 21417348 |
| Unchecked | IC50 | = | 9071.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21417348 | 10.1021/jm1010918 | Unchecked | 2 |
| 21417348 | 10.1021/jm1010918 | Poly [ADP-ribose] polymerase 1 | 1 |
| 21417348 | 10.1021/jm1010918 | Poly [ADP-ribose] polymerase 2 | 1 |
Data from ChEMBL 36 via Core Engine