ID: ALA1808316
Max Phase: Preclinical
Molecular Formula: C6H8O7
Molecular Weight: 192.12
Molecule Type: Small molecule
Associated Items:
Synonyms (1): D-Saccharic Acid 1,4-Lactone
Synonyms from Alternative Forms(1):
Canonical SMILES: O=C(O)[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O
Standard InChI: InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4+/m1/s1
Standard InChI Key: XECPAIJNBXCOBO-MMPJQOAZSA-N
| 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: Yes | 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 |
| 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: 192.12 | Molecular Weight (Monoisotopic): 192.0270 | AlogP: -2.92 | #Rotatable Bonds: 2 |
| Polar Surface Area: 124.29 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.06 | CX Basic pKa: | CX LogP: -2.42 | CX LogD: -5.89 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.35 | Np Likeness Score: 1.95 |
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