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Details

Stereochemistry ACHIRAL
Molecular Formula C27H33NO4
Molecular Weight 435.5552
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CERALIFIMOD

SMILES

CCCC1=CC=C(COC2=CC3=C(C=C2)C(C)=C(CN4CC(C4)C(O)=O)CC3)C(OC)=C1

InChI

InChIKey=QDDQIPUKAXBMBX-UHFFFAOYSA-N
InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)

HIDE SMILES / InChI
Ceralifimod (ONO-4641) is an oral, selective Sphingosine 1-phosphate receptor 1 and 5 agonist. It was studied in the phase 2 trials for the treatment of multiple sclerosis, however, further, development was discontinued.

Approval Year

TargetsConditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
985 pg/mL
0.1 mg single, oral
dose: 0.1 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
111 pg/mL
0.01 mg single, oral
dose: 0.01 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1166 pg/mL
0.025 mg 1 times / day multiple, oral
dose: 0.025 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
2260 pg/mL
0.05 mg 1 times / day multiple, oral
dose: 0.05 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
262 pg/mL
0.025 mg single, oral
dose: 0.025 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
434 pg/mL
0.01 mg 1 times / day multiple, oral
dose: 0.01 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
4428 pg/mL
0.1 mg 1 times / day multiple, oral
dose: 0.1 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
507 pg/mL
0.05 mg single, oral
dose: 0.05 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
18620 pg × h/mL
0.1 mg single, oral
dose: 0.1 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1967 pg × h/mL
0.01 mg single, oral
dose: 0.01 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
24527 pg × h/mL
0.025 mg 1 times / day multiple, oral
dose: 0.025 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
48497 pg × h/mL
0.05 mg 1 times / day multiple, oral
dose: 0.05 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
4908 pg × h/mL
0.025 mg single, oral
dose: 0.025 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
9219 pg × h/mL
0.01 mg 1 times / day multiple, oral
dose: 0.01 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
93517 pg × h/mL
0.1 mg 1 times / day multiple, oral
dose: 0.1 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
9530 pg × h/mL
0.05 mg single, oral
dose: 0.05 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
81.8 h
0.025 mg 1 times / day multiple, oral
dose: 0.025 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
89 h
0.05 mg 1 times / day multiple, oral
dose: 0.05 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
81.9 h
0.01 mg 1 times / day multiple, oral
dose: 0.01 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
84.8 h
0.1 mg 1 times / day multiple, oral
dose: 0.1 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
CERALIFIMOD plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
PubMed

PubMed

TitleDatePubMed
The prediction of human response to ONO-4641, a sphingosine 1-phosphate receptor modulator, from preclinical data based on pharmacokinetic-pharmacodynamic modeling.
2010 Oct
Efficacy and immunomodulatory actions of ONO-4641, a novel selective agonist for sphingosine 1-phosphate receptors 1 and 5, in preclinical models of multiple sclerosis.
2013 Jan
Effect of ceralifimod (ONO-4641) on lymphocytes and cardiac function: Randomized, double-blind, placebo-controlled trial with an open-label fingolimod arm.
2015 Sep
Patents

Sample Use Guides

The phase 2 DreaMS trial: patients with relapsing-remitting multiple sclerosis were randomized to 0.05 mg, 0.1 mg, or 0.15 mg of Ceralifimod (ONO-4641), or placebo.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Name Type Language
CERALIFIMOD
INN   WHO-DD  
INN  
Official Name English
ceralifimod [INN]
Common Name English
Ceralifimod [WHO-DD]
Common Name English
1-((6-((2-METHOXY-4-PROPYLBENZYL)OXY)-1-METHYL-3,4-DIHYDRO-2-NAPHTHALENYL)METHYL)AZETIDINE-3-CARBOXYLIC ACID
Systematic Name English
1-((6-((2-METHOXY-4-PROPYLPHENYL)METHOXY)-1-METHYL-3,4-DIHYDRONAPHTHALEN-2-YL(METHYL)AZETIDINE-3-CARBOXYLIC ACID
Common Name English
Code System Code Type Description
CAS
891859-12-4
Created by admin on Sat Dec 16 08:11:57 GMT 2023 , Edited by admin on Sat Dec 16 08:11:57 GMT 2023
PRIMARY
SMS_ID
100000175793
Created by admin on Sat Dec 16 08:11:57 GMT 2023 , Edited by admin on Sat Dec 16 08:11:57 GMT 2023
PRIMARY
INN
9772
Created by admin on Sat Dec 16 08:11:57 GMT 2023 , Edited by admin on Sat Dec 16 08:11:57 GMT 2023
PRIMARY
NCI_THESAURUS
C171818
Created by admin on Sat Dec 16 08:11:57 GMT 2023 , Edited by admin on Sat Dec 16 08:11:57 GMT 2023
PRIMARY
PUBCHEM
11502996
Created by admin on Sat Dec 16 08:11:57 GMT 2023 , Edited by admin on Sat Dec 16 08:11:57 GMT 2023
PRIMARY
FDA UNII
BZ2O8A84A4
Created by admin on Sat Dec 16 08:11:57 GMT 2023 , Edited by admin on Sat Dec 16 08:11:57 GMT 2023
PRIMARY