GLUCOSAMINE SULFATE
ID: ALA3989750
Chembl Id: CHEMBL3989750
PubChem CID: 46174089
Max Phase: Approved
Molecular Formula: C12H28N2O14S
Molecular Weight: 179.17
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Synonyms: Faximin | Glucosamine sulfate | Tiocondramina | Glucosamine sulf|Glucosaminesulphate|Chitosamine Sulfate|Dona (TN)|CHEMBL3989750|GLUCOSAMINE Glucosamine sulfate|D-Glucosamine sulfate sodium salt|CVCQAQVBOPNTFI-AAONGDSNSA-N|2-Amino-2-deoxy-D-glucose Sulfate|MFCD00080790|D-Glucosamine sulfate, potassium chloride salt|D08023|W-108079
Trade Names(2): Dolenio | Glusartel
Canonical SMILES: N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=S(=O)(O)O
Standard InChI: InChI=1S/2C6H13NO5.H2O4S/c2*7-3-5(10)4(9)2(1-8)12-6(3)11;1-5(2,3)4/h2*2-6,8-11H,1,7H2;(H2,1,2,3,4)/t2*2-,3-,4-,5-,6?;/m11./s1
Standard InChI Key: CVCQAQVBOPNTFI-AAONGDSNSA-N
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: Yes | 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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Calculated Properties
| Molecular Weight: 179.17 | Molecular Weight (Monoisotopic): 179.0794 | AlogP: -3.25 | #Rotatable Bonds: 1 |
| Polar Surface Area: 116.17 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.73 | CX Basic pKa: 8.23 | CX LogP: -3.04 | CX LogD: -3.93 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.29 | Np Likeness Score: 2.14 |
References
| 1. British National Formulary (72nd edition), |
| 2. Unpublished dataset, |
Source
Source(2):