Compound Detail
CHEMBL1160801
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Basic Information
| ChEMBL ID | CHEMBL1160801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBNXFLOHCIXXBR-JMMWHDCWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.1
MW (Da)
-0.40
ALogP
6
HBA
6
HBD
200.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.44 | 4.44 | 36000.0 | 1 |
| Inositol polyphosphate-5-phosphatase A CHEMBL4243 | Ki | 4.09 | 4.09 | 81400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 36000.0 | nM | 4.44 | Inhibition of Inositol 1,4,5-trisphosphate 3-kinase from rat brain homogenate (r... | 8411022 |
| Inositol polyphosphate-5-phosphatase A | Ki | = | 81400.0 | nM | 4.09 | Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane ... | 8411022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411022 | 10.1021/jm00072a027 | Unchecked | 2 |
| 8411022 | 10.1021/jm00072a027 | Inositol polyphosphate-5-phosphatase A | 1 |
| 8411022 | 10.1021/jm00072a027 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine