Compound Detail
CHEMBL1161242
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Basic Information
| ChEMBL ID | CHEMBL1161242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEKHZIJBKVQWQC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.2
MW (Da)
-3.25
ALogP
9
HBA
9
HBD
226.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inositol polyphosphate-5-phosphatase A CHEMBL4243 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inositol polyphosphate-5-phosphatase A | Ki | = | 1300.0 | nM | 5.89 | The compound was evaluated for inhibition of Inositol-1,4,5-trisphosphate 5-phos... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80172-9 | Inositol polyphosphate-5-phosphatase A | 1 |
Data from ChEMBL 36 via Core Engine