Compound Detail
CHEMBL3892363
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Basic Information
| ChEMBL ID | CHEMBL3892363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFJGQBKALIOSDA-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.35
ALogP
2
HBA
2
HBD
57.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 6.79 | 6.79 | 164.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 1.6 | nM | 8.8 | PARP-2 and PARP-3 Enzymatic Assay: PARP-2 and PARP-3 enzymatic assays were condu... | - |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 6.3 | nM | 8.2 | PARP-1 Enzymatic Assay: PARP-1 enzymatic assay was conducted using a method modi... | - |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 164.0 | nM | 6.79 | Tankyrase-2 Enzymatic Assay: Tankyrase-2 enzymatic assay was conducted using com... | - |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Enzymatic Assay: PARP-2 and PARP-3 enzymatic assays were conducted using commerc... | - |
Data from ChEMBL 36 via Core Engine