| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4114834
Max Phase: Preclinical
Molecular Formula: C14H20NO8P
Molecular Weight: 361.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(CP(=O)(O)CC[C@@H](N)C(=O)O)ccc1OCC(=O)O
Standard InChI: InChI=1S/C14H20NO8P/c1-22-12-6-9(2-3-11(12)23-7-13(16)17)8-24(20,21)5-4-10(15)14(18)19/h2-3,6,10H,4-5,7-8,15H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t10-/m1/s1
Standard InChI Key: DROSYWQBEHIXTD-SNVBAGLBSA-N
Associated Targets(non-human)
Metabotropic glutamate receptor 4 663 Activities
Metabotropic glutamate receptor 8 169 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 361.29 | Molecular Weight (Monoisotopic): 361.0927 | AlogP: 0.73 | #Rotatable Bonds: 10 |
| Polar Surface Area: 156.38 | Molecular Species: ZWITTERION | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.52 | CX Basic pKa: 9.53 | CX LogP: -2.67 | CX LogD: -9.08 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.44 | Np Likeness Score: 0.23 |
References
| 1. (2015) Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof, |
Source
Source(1):