Drug Information

Drug General Information
Drug ID
D07FKQ
Former ID
DNCL003649
Drug Name
BAF312
Synonyms
Siponimod
Drug Type
Small molecular drug
Indication Hepatocellular carcinoma; Multiple scierosis [ICD9: 155, 340; ICD10:C22.0, G35] Phase 3 [524022]
Company
Novartis
Structure
Download
2D MOL

3D MOL
Formula
C62H74F6N4O10
Canonical SMILES
CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C<br />)CN4CC(C4)C(=O)O.CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3<br />CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O.C(=CC(=O)O)C(=O)O
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+
InChIKey
JNLIKIBISICTMS-PEJBKAKVSA-N
PubChem Compound ID
46700777
PubChem Substance ID
98458070, 136350018
Target and Pathway
Target(s) Sphingosine 1-phosphate receptor 1 Target Info Modulator [532456]
KEGG Pathway FoxO signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
NetPath Pathway IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
IL2 Signaling Pathway
Pathway Interaction Database Fc-epsilon receptor I signaling in mast cells
S1P3 pathway
S1P1 pathway
Sphingosine 1-phosphate (S1P) pathway
PDGFR-beta signaling pathway
Reactome G alpha (i) signalling events
Lysosphingolipid and LPA receptors
WikiPathways Signal Transduction of S1P Receptor
Small Ligand GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 524022ClinicalTrials.gov (NCT01665144) Exploring the Efficacy and Safety of Siponimod in Patients With Secondary Progressive Multiple Sclerosis (EXPAND). U.S. National Institutes of Health.
Ref 532456Targeting the sphingosine-1-phosphate axis in cancer, inflammation and beyond. Nat Rev Drug Discov. 2013 Sep;12(9):688-702.

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