Fingolimod

Basic Information

CAS ID: 162359-55-9
Molecular Formula: C17H18N4O3S
Molecular Weight: 358.4 g/mol
Monoisotopic Mass: 358.11 g/mol
Class: Small Molecule
Natural Product: No
Other Names:
Analysis: Drug repositioning mechanism analysis

O O NH S N NH2 N O

Compound Structure and Identifier

InChI: InChI=1S/C17H18N4O3S/c1-3-24-17(22)21-14-8-13-15(16(18)20-14)19-12(9-25-13)10-5-4-6-11(7-10)23-2/h4-8H,3,9H2,1-2H3,(H3,18,20,21,22) See All
InChI Key: RDACHJGYBRINIQ-UHFFFAOYSA-N
Smiles: CCOC(=O)Nc1cc2SCC(=Nc2c(N)n1)c3cccc(OC)c3 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0139 Sphingosine 1-phosphate receptor 5 agonist

Related Fibrosis Property

Reference Record 1

PubMed ID 27935071 Target ID
Uniprot ID Name
Model mice Fibrosis Disease Cardiac fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 24893116 Target ID
Uniprot ID Name
Model mice Fibrosis Disease Pulmonary fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 3

PubMed ID 24679864 Target ID T0139
Uniprot ID Sphingosine 1-phosphate receptor 5 Name Sphingosine 1-phosphate receptor 5
Model mice Fibrosis Disease Renal fibrosis
Process I attenue inflammation
Process II myofibroblasts accumulation
Process III
Mechanism

Related Link

PubChem: 107970
ChEMBL: CHEMBL314854