Compound Detail
CHEMBL159230
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Basic Information
| ChEMBL ID | CHEMBL159230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCOMURCDMLBWOR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.1
MW (Da)
0.14
ALogP
3
HBA
5
HBD
135.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inositol monophosphatase 1 CHEMBL4505 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inositol monophosphatase 1 | IC50 | = | 29000.0 | nM | 4.54 | Concentration required for 50% inhibition of Inositol monophosphatase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24607589 | 10.1016/j.ejmech.2014.02.054 | NON-PROTEIN TARGET | 2 |
| - | 10.1016/S0960-894X(01)81212-9 | Inositol monophosphatase 1 | 1 |
| 35678759 | 10.1021/acs.jmedchem.2c00658 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine