U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24N4O3
Molecular Weight 404.4617
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OZANIMOD

SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@H](NCCO)C4=CC=C3)C#N

InChI

InChIKey=XRVDGNKRPOAQTN-FQEVSTJZSA-N
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

HIDE SMILES / InChI
Molecular Formula C23H24N4O3
Molecular Weight 404.4617
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:03:00 UTC 2023
Edited
by admin
on Fri Dec 15 18:03:00 UTC 2023
Record UNII
Z80293URPV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OZANIMOD
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
RPC-1063
Code English
BENZONITRILE, 5-(3-((1S)-2,3-DIHYDRO-1-((2-HYDROXYETHYL)AMINO)-1H-INDEN-4-YL)-1,2,4-OXADIAZOL-5-YL)-2-(1-METHYLETHOXY)-
Systematic Name English
OZANIMOD [USAN]
Common Name English
ozanimod [INN]
Common Name English
Ozanimod [WHO-DD]
Common Name English
RPC1063
Code English
OZANIMOD [MI]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 499515
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
WHO-ATC L04AA38
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
FDA ORPHAN DRUG 611517
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
Code System Code Type Description
DRUG CENTRAL
5383
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
MERCK INDEX
m12197
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
DRUG BANK
DB12612
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
NCI_THESAURUS
C170279
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
LACTMED
Ozanimod
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
DAILYMED
Z80293URPV
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
SMS_ID
100000167014
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
WIKIPEDIA
Ozanimod
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
FDA UNII
Z80293URPV
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
PUBCHEM
52938427
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
USAN
CD-21
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
INN
10057
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
EVMPD
SUB181335
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID501026488
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
CAS
1306760-87-1
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
RXCUI
2288236
Created by admin on Fri Dec 15 18:03:00 UTC 2023 , Edited by admin on Fri Dec 15 18:03:00 UTC 2023
PRIMARY
Related Record Type Details
SPHINGOSINE 1-PHOSPHATE RECEPTOR 1
TARGET -> AGONIST
SELECTIVE
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
Structure of OZANIMOD
EXCRETED UNCHANGED
Ozanimod was not present in feces. Ozanimod concentration in urine was negligible.
FECAL; URINE
Structure of OZANIMOD HYDROCHLORIDE
SALT/SOLVATE -> PARENT
AMINE OXIDASE (FLAVIN-CONTAINING) B
METABOLIC ENZYME -> SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
ARYLAMINE N-ACETYLTRANSFERASE 2
METABOLIC ENZYME -> SUBSTRATE
SPHINGOSINE 1-PHOSPHATE RECEPTOR 5
TARGET -> AGONIST
SELECTIVE
CYTOCHROME P450 2C8
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
Structure of RP-101075
METABOLITE ACTIVE -> PARENT
PLASMA
Structure of RP-112273
METABOLITE ACTIVE -> PARENT
MAJOR
PLASMA
Structure of RP-112374
METABOLITE -> PARENT
FECAL
Structure of PR-101442
METABOLITE ACTIVE -> PARENT
PLASMA
Structure of (2S,3S,4S,5R,6S)-6-(3-CYANO-4-HYDROXY-BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
METABOLITE INACTIVE -> PARENT
URINE
Structure of RP-112533
METABOLITE INACTIVE -> PARENT
MAJOR
FECAL
Structure of PR-101988
METABOLITE ACTIVE -> PARENT
PLASMA; URINE
Structure of RP-101124
METABOLITE INACTIVE -> PARENT
FECAL; PLASMA; URINE
Structure of RP-112480
METABOLITE INACTIVE -> PARENT
MAJOR
FECAL
Structure of RP-100798
METABOLITE ACTIVE -> PARENT
PLASMA
Structure of RP-112479
METABOLITE -> PARENT
FECAL
Structure of RP-112402
METABOLITE INACTIVE -> PARENT
MAJOR
URINE
Related Record Type Details
Structure of OZANIMOD
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
Tmax PHARMACOKINETIC AT STEADY-STATE

NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966