Ozanimod (CED0006466)

Record Information

Version

1.0

Creation Date

2026-04-14 18:55:49 UTC

Update Date

2026-08-22 00:19:31 UTC

SynCED ID

CED0006466

Secondary Accession Numbers

CHEM131639

Identification

Common Name

Ozanimod

Class

Small Molecule

Description

Ozanimod is an organic compound with the formula C23H24N4O3 and an average molecular weight of 404.47 g/mol. Ozanimod belongs to the oxadiazoles, a subclass of azoles within the organic compounds. This compound is utilized within healthcare, pharmaceuticals, and veterinary products as an immunosuppressant and is administered via the oral exposure route. In terms of its biological activity, Ozanimod acts as an agonist for two protein targets: Sphingosine 1-phosphate receptor 1 (S1PR1) and Sphingosine 1-phosphate receptor 5 (S1PR5).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₃H₂₄N₄O₃

Average Molecular Mass

404.470 g/mol

Monoisotopic Mass

404.185 g/mol

CAS Registry Number

1306760-87-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C2CC[C@H](NCCO)C2=CC=C1)C#N

InChI Identifier

InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1

InChI Key

XRVDGNKRPOAQTN-FQEVSTJZSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0109700000-9746386389a89ad163d2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-1209000000-025a92b6bec001f565c1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dm-1902000000-38ae40a349301ed016fc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-1004900000-2fce65de5595ea4c131f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-2195200000-46e4e24d307dad345166	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05mo-9414000000-14343f3c148ab3ed5c0b	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2480.0 Log mg/kg [1400:4400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
bradycardia	Associated With?	decrease	Not Available	PMC12775382
atrioventricular block	Associated With?	decrease	Not Available	PMC12775382

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000362	Immunosuppressants?Immunosuppressants are synthetic chemicals used to inhibit the immune response, primarily in patients undergoing organ transplants or those with autoimmune disorders.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem

Pathways

2 pathwaysPathway Source: PathBank

Ozanimod Drug Metabolism Action Pathway

Ozanimod Predicted Metabolism Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	Prediction Confidence Score 0.635 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 126 E-value 0.0778492
Click to view 3D structure	Sphingosine 1-phosphate receptor 5	Q9H228	Humans	Predicted (SEA)	Prediction Confidence Score 0.501 Applicability Domain 1.0 Statistical Significance 1.40e-04 Supporting Reference Compounds 49 E-value 1.08989
Click to view 3D structure	Sphingosine 1-phosphate receptor 3	Q99500	Humans	Predicted (SEA)	Prediction Confidence Score 0.478 Applicability Domain 1.0 Statistical Significance 6.00e-04 Supporting Reference Compounds 59 E-value 4.67095
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.425 Applicability Domain 1.0 Statistical Significance 3.90e-04 Supporting Reference Compounds 117 E-value 3.03612
Click to view 3D structure	Sphingosine 1-phosphate receptor 2	O95136	Humans	Predicted (SEA)	Prediction Confidence Score 0.422 Applicability Domain 1.0 Statistical Significance 2.50e-04 Supporting Reference Compounds 79 E-value 1.94623
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.378 Applicability Domain 0.506 Statistical Significance 0.026 Supporting Reference Compounds 1245 E-value 202.408
Click to view 3D structure	G-protein coupled receptor 183	P32249	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 1.0 Statistical Significance 3.00e-04 Supporting Reference Compounds 63 E-value 2.33548
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.489 Statistical Significance 0.0772 Supporting Reference Compounds 1498 E-value 600.996
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.368 Statistical Significance 0.0483 Supporting Reference Compounds 714 E-value 375.856
Click to view 3D structure	Misshapen-like kinase 1	Q8N4C8	Humans	Predicted (SEA)	Prediction Confidence Score 0.328 Applicability Domain 0.368 Statistical Significance 0.035 Supporting Reference Compounds 524 E-value 272.472
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.506 Statistical Significance 0.1015 Supporting Reference Compounds 1538 E-value 790.403
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.363 Statistical Significance 0.1447 Supporting Reference Compounds 1130 E-value 1126.48
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.287 Applicability Domain 0.36 Statistical Significance 0.1046 Supporting Reference Compounds 681 E-value 814.225
Click to view 3D structure	Serine/threonine-protein kinase PLK1	P53350	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.36 Statistical Significance 0.1516 Supporting Reference Compounds 705 E-value 1179.88
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	O08530	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.29 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 11 E-value 8.79696
Click to view 3D structure	MAP/microtubule affinity-regulating kinase 3	P27448	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.36 Statistical Significance 0.1784 Supporting Reference Compounds 627 E-value 1389.22
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.36 Statistical Significance 0.2487 Supporting Reference Compounds 967 E-value 1935.8
Click to view 3D structure	Serine/threonine-protein kinase MRCK alpha	Q5VT25	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.36 Statistical Significance 0.1779 Supporting Reference Compounds 572 E-value 1385.17
Click to view 3D structure	MAP kinase-interacting serine/threonine-protein kinase 2	Q9HBH9	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.36 Statistical Significance 0.1947 Supporting Reference Compounds 550 E-value 1515.72
Click to view 3D structure	Interleukin-1 receptor-associated kinase 4	Q9NWZ3	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.36 Statistical Significance 0.2278 Supporting Reference Compounds 682 E-value 1773.64
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 5	Q9Y4K4	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.36 Statistical Significance 0.2064 Supporting Reference Compounds 557 E-value 1606.89
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P48303	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.29 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 11 E-value 12.7673
Click to view 3D structure	Serine/threonine-protein kinase PAK 1	Q13153	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.36 Statistical Significance 0.2367 Supporting Reference Compounds 595 E-value 1842.61
Click to view 3D structure	Serine/threonine-protein kinase pim-3	Q86V86	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.36 Statistical Significance 0.2168 Supporting Reference Compounds 497 E-value 1687.62
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.344 Statistical Significance 0.3035 Supporting Reference Compounds 793 E-value 2362.65