ID: ALA2251448
Max Phase: Preclinical
Molecular Formula: C6H18AlO9P3
Molecular Weight: 110.05
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CCO[PH](=O)[O-].CCO[PH](=O)[O-].CCO[PH](=O)[O-].[Al+3]
Standard InChI: InChI=1S/3C2H7O3P.Al/c3*1-2-5-6(3)4;/h3*6H,2H2,1H3,(H,3,4);/q;;;+3/p-3
Standard InChI Key: ZKZMJOFIHHZSRW-UHFFFAOYSA-K
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 110.05 | Molecular Weight (Monoisotopic): 110.0133 | AlogP: 0.40 | #Rotatable Bonds: 2 |
| Polar Surface Area: 46.53 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.19 | CX Basic pKa: | CX LogP: -0.38 | CX LogD: -2.64 |
| Aromatic Rings: 0 | Heavy Atoms: 6 | QED Weighted: 0.52 | Np Likeness Score: 0.36 |
| 1. Nel B, Steinberg C, Labuschagne N, Viljoen A.. (2007) Evaluation of fungicides and sterilants for potential application in the management of Fusarium wilt of banana, 26 (4): [10.1016/j.cropro.2006.06.008] |
Source(1):
