| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2074954
Max Phase: Preclinical
Molecular Formula: C15H11I4NO7S
Molecular Weight: 856.94
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)NS(=O)(=O)O
Standard InChI: InChI=1S/C15H11I4NO7S/c16-8-4-7(5-9(17)13(8)21)27-14-10(18)1-6(2-11(14)19)3-12(15(22)23)20-28(24,25)26/h1-2,4-5,12,20-21H,3H2,(H,22,23)(H,24,25,26)/t12-/m1/s1
Standard InChI Key: WDZGBBVWVGSPGU-GFCCVEGCSA-N
Associated Targets(non-human)
Monocarboxylate transporter 8 28 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: 856.94 | Molecular Weight (Monoisotopic): 856.6435 | AlogP: 3.99 | #Rotatable Bonds: 7 |
| Polar Surface Area: 133.16 | Molecular Species: ACID | HBA: 5 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: -1.96 | CX Basic pKa: | CX LogP: 3.59 | CX LogD: -0.76 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.24 | Np Likeness Score: 0.26 |
References
| 1. Friesema EC, Ganguly S, Abdalla A, Manning Fox JE, Halestrap AP, Visser TJ.. (2003) Identification of monocarboxylate transporter 8 as a specific thyroid hormone transporter., 278 (1): [PMID:12871948] [10.1074/jbc.m300909200] |
Source
Source(1):