Compound Detail
CHEMBL1092115
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Basic Information
| ChEMBL ID | CHEMBL1092115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBJUUAUZLDWNPE-CMDGGOBGSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
3.07
ALogP
4
HBA
0
HBD
55.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
EC50 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine hydrolase RBBP9 CHEMBL1075121 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.87 | 4.865 | 13648.0 | 2 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine hydrolase RBBP9 | IC50 | = | 1200.0 | nM | 5.92 | Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293... | 20207142 |
| Unchecked | EC50 | = | 13648.0 | nM | 4.87 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 13967.0 | nM | 4.86 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 13900.0 | nM | 4.86 | 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 |
| 20207142 | 10.1016/j.bmcl.2010.02.011 | Glutathione S-transferase omega-1 | 1 |
Data from ChEMBL 36 via Core Engine