Compound Detail
CHEMBL1254258
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O=C(O)c1c(Cl)ccc(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12
Basic Information
| ChEMBL ID | CHEMBL1254258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWOSOMIYKBKWDA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
904.8
MW (Da)
7.69
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | IC50 | 4.21 | 4.21 | 61400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 27.0 | nM | 7.57 | Inhibition of VGLUT in rat synaptic vesicles assessed as [3H]glutamate uptake pr... | 20708942 |
| Poly(ADP-ribose) glycohydrolase | IC50 | = | 61400.0 | nM | 4.21 | Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR a... | 31879180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20708942 | 10.1016/j.bmc.2010.06.069 | Unchecked | 1 |
| 31879180 | 10.1016/j.bmc.2019.115249 | Poly(ADP-ribose) glycohydrolase | 1 |
Data from ChEMBL 36 via Core Engine