| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4115286
Max Phase: Preclinical
Molecular Formula: C13H18NO7P
Molecular Weight: 331.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N[C@H](CCP(=O)(O)Cc1ccc(OCC(=O)O)cc1)C(=O)O
Standard InChI: InChI=1S/C13H18NO7P/c14-11(13(17)18)5-6-22(19,20)8-9-1-3-10(4-2-9)21-7-12(15)16/h1-4,11H,5-8,14H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m1/s1
Standard InChI Key: XHNVTQBHEJKWLF-LLVKDONJSA-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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Metabotropic glutamate receptor 6 161 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Metabotropic glutamate receptor 7 580 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: 331.26 | Molecular Weight (Monoisotopic): 331.0821 | AlogP: 0.72 | #Rotatable Bonds: 9 |
| Polar Surface Area: 147.15 | Molecular Species: ZWITTERION | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.66 | CX Basic pKa: 9.53 | CX LogP: -2.35 | CX LogD: -8.84 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.48 | Np Likeness Score: 0.12 |
References
| 1. (2015) Hypophosphorous acid derivatives having antihyperalgic activity and biological applications thereof, |
Source
Source(1):