| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1160829
Max Phase: Preclinical
Molecular Formula: C7H12O7
Molecular Weight: 208.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)[C@H]1OC(CO)C(O)C(O)C1O
Standard InChI: InChI=1S/C7H12O7/c8-1-2-3(9)4(10)5(11)6(14-2)7(12)13/h2-6,8-11H,1H2,(H,12,13)/t2?,3?,4?,5?,6-/m0/s1
Standard InChI Key: MTNHERCZHBRCJQ-IHVYINHVSA-N
Associated Targets(Human)
Brain glycogen phosphorylase 474 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 208.17 | Molecular Weight (Monoisotopic): 208.0583 | AlogP: -3.09 | #Rotatable Bonds: 2 |
| Polar Surface Area: 127.45 | Molecular Species: ACID | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.34 | CX Basic pKa: | CX LogP: -2.88 | CX LogD: -6.30 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.33 | Np Likeness Score: 2.21 |
References
| 1. Pan D, Liu J, Senese C, Hopfinger AJ, Tseng Y.. (2004) Characterization of a ligand-receptor binding event using receptor-dependent four-dimensional quantitative structure-activity relationship analysis., 47 (12): [PMID:15163189] [10.1021/jm030586a] |
Source
Source(1):