Compound Detail
CHEMBL1092816
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Basic Information
| ChEMBL ID | CHEMBL1092816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPJOSLKXXOAVEN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.68
ALogP
5
HBA
0
HBD
65.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine hydrolase RBBP9 CHEMBL1075121 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.49 | 4.49 | 32200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine hydrolase RBBP9 | IC50 | = | 1500.0 | nM | 5.82 | Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293... | 20207142 |
| Serine hydrolase RBBP9 | IC50 | = | 1500.0 | nM | 5.82 | Displacement of fluorophosphate-rhodamine from recombinant RBBP9 transfected in ... | 20207142 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 32200.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20207142 | 10.1016/j.bmcl.2010.02.011 | Serine hydrolase RBBP9 | 3 |
Data from ChEMBL 36 via Core Engine