Compound Detail
CHEMBL395092
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Basic Information
| ChEMBL ID | CHEMBL395092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIEYHAAMDAPVCH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
1.23
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 5.92 | 5.585 | 1210.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 1210.0 | nM | 5.92 | Inhibition of PARP1 using TACS-Sapphire substrate for 30 mins by colorimetry | 22365563 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of PARP (unknown origin) | 28003142 |
| Poly [ADP-ribose] polymerase 1 | IC50 | = | 5600.0 | nM | 5.25 | The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition | 11689065 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37736179 | 10.1021/acsmedchemlett.3c00098 | RAW264.7 | 4 |
| 22365563 | 10.1016/j.ejmech.2012.02.001 | Poly [ADP-ribose] polymerase 1 | 2 |
| 11689065 | 10.1021/jm010116l | Poly [ADP-ribose] polymerase 1 | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | No relevant target | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Chlorella vulgaris | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | SK-N-MC | 1 |
| 17142046 | 10.1016/j.bmc.2006.11.020 | Unchecked | 1 |
| 21612927 | 10.1016/j.bmcl.2011.05.002 | Candida albicans | 1 |
| 28003142 | 10.1016/j.bmcl.2016.09.054 | Unchecked | 1 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine