| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
OXIDIZED DMPS
ID: ALA2074703
Max Phase: Preclinical
Molecular Formula: C5H12O6S6
Molecular Weight: 360.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(O)CC(S)CSSCC(S)S(=O)(=O)O
Standard InChI: InChI=1S/C5H12O6S6/c6-16(7,8)3-4(12)1-14-15-2-5(13)17(9,10)11/h4-5,12-13H,1-3H2,(H,6,7,8)(H,9,10,11)
Standard InChI Key: DTOFWAYNEZSATC-UHFFFAOYSA-N
Associated Targets(Human)
Solute carrier family 22 member 6 265 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: 360.55 | Molecular Weight (Monoisotopic): 359.8958 | AlogP: 0.70 | #Rotatable Bonds: 8 |
| Polar Surface Area: 108.74 | Molecular Species: ACID | HBA: 8 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: -1.63 | CX Basic pKa: | CX LogP: 0.17 | CX LogD: -4.59 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.22 | Np Likeness Score: 0.15 |
References
| 1. Islinger F, Gekle M, Wright SH.. (2001) Interaction of 2,3-dimercapto-1-propane sulfonate with the human organic anion transporter hOAT1., 299 (1): [PMID:11602689] |
Source
Source(1):