Compound Detail
CHEMBL3351091
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O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL3351091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRVYFOANPDTYBY-ADOSBGCESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.1
MW (Da)
-3.37
ALogP
10
HBA
10
HBD
307.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.81 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition against Inositol (3,4,5,6)P4 1-kinase from bovine aorta | 11520207 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition against Inositol (3,4,5,6)P4 1-kinase from bovine aorta | 11520207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520207 | 10.1021/jm000553k | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine