SIPONIMOD FUMARATE

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z7G02XZ0M6

Structure
InChI Key JNLIKIBISICTMS-PEJBKAKVSA-N
Smile CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C29H35F3N2O3.C4H4O4/c2*1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32;5-3(6)1-2-4(7)8/h2*9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36);1-2H,(H,5,6)(H,7,8)/b2*33-19+;2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C62H74F6N4O10
Molecular Weight 1149.28
AlogP 6.77
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 62.13
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Sphingosine 1-phosphate receptor Edg-1 agonist FDA PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis, Chronic Progressive 4 D020528 FDA
Multiple Sclerosis 4 D009103 FDA
Multiple Sclerosis, Relapsing-Remitting 4 D020529 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4298150
FDA SRS Z7G02XZ0M6
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