Compound Detail
CHEMBL4296925
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Basic Information
| ChEMBL ID | CHEMBL4296925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRBVAEOOKCYONQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
2.25
ALogP
4
HBA
0
HBD
30.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP14 CHEMBL2176777 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein mono-ADP-ribosyltransferase PARP14 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of N-terminal MBP tagged/C-terminal PARP14 (unknown origin) expressed... | 36598465 |
| Protein mono-ADP-ribosyltransferase PARP10 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of N-terminal MBP tagged/C-terminal PARP10 (unknown origin) expressed... | 36598465 |
| Protein mono-ADP-ribosyltransferase PARP15 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of N-terminal MBP tagged/C-terminal PARP15 (unknown origin) expressed... | 36598465 |
| Poly [ADP-ribose] polymerase 2 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of N-terminal MBP tagged/C-terminal PARP2 (unknown origin) expressed ... | 36598465 |
| Poly [ADP-ribose] polymerase tankyrase-2 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of N-terminal MBP tagged/C-terminal TNKS2 (unknown origin) expressed ... | 36598465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Poly [ADP-ribose] polymerase 2 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Poly [ADP-ribose] polymerase tankyrase-2 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP10 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP15 | 1 |
| 36598465 | 10.1021/acs.jmedchem.2c01460 | Protein mono-ADP-ribosyltransferase PARP14 | 1 |
Data from ChEMBL 36 via Core Engine