| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094588
Max Phase: Preclinical
Molecular Formula: C6H8O8P2
Molecular Weight: 270.07
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=P(O)(O)Oc1ccccc1OP(=O)(O)O
Standard InChI: InChI=1S/C6H8O8P2/c7-15(8,9)13-5-3-1-2-4-6(5)14-16(10,11)12/h1-4H,(H2,7,8,9)(H2,10,11,12)
Standard InChI Key: FYZCRINOGJKXQT-UHFFFAOYSA-N
Associated Targets(Human)
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 180 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 270.07 | Molecular Weight (Monoisotopic): 269.9694 | AlogP: 0.63 | #Rotatable Bonds: 4 |
| Polar Surface Area: 133.52 | Molecular Species: ACID | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.41 | CX Basic pKa: | CX LogP: 0.06 | CX LogD: -6.25 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.59 | Np Likeness Score: 0.51 |
References
| 1. Whitfield H, Hemmings AM, Mills SJ, Baker K, White G, Rushworth S, Riley AM, Potter BVL, Brearley CA.. (2021) Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention., 64 (7.0): [PMID:33724834] [10.1021/acs.jmedchem.0c01944] |
Source
Source(1):