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Details

Stereochemistry ACHIRAL
Molecular Formula C25H29N9O3
Molecular Weight 503.5563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRELADENANT

SMILES

COCCOC1=CC=C(C=C1)N2CCN(CCN3N=CC4=C3N=C(N)N5N=C(N=C45)C6=CC=CO6)CC2

InChI

InChIKey=DTYWJKSSUANMHD-UHFFFAOYSA-N
InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)

HIDE SMILES / InChI
Molecular Formula C25H29N9O3
Molecular Weight 503.5563
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:52:59 UTC 2023
Edited
by admin
on Fri Dec 15 15:52:59 UTC 2023
Record UNII
950O97NUPO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRELADENANT
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
2-(Furan-2-yl)-7-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-7H-pyrazolo[4,3-E][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Systematic Name English
SCH-420814
Code English
SCH 420814
Code English
Preladenant [WHO-DD]
Common Name English
PRELADENANT [USAN]
Common Name English
MK-3814
Code English
preladenant [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C38149
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C76394
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
DRUG BANK
DB11864
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
WIKIPEDIA
PRELADENANT
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
CAS
377727-87-2
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
FDA UNII
950O97NUPO
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
PUBCHEM
10117987
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
USAN
SS-73
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
EVMPD
SUB126822
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
INN
8880
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
SMS_ID
100000153027
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID90191219
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL240624
Created by admin on Fri Dec 15 15:52:59 UTC 2023 , Edited by admin on Fri Dec 15 15:52:59 UTC 2023
PRIMARY
Related Record Type Details
ADENOSINE RECEPTOR A2A
TARGET -> INHIBITOR
Approximately 1000-fold more selective over other ARs.
Ki
Related Record Type Details
Structure of PRELADENANT
ACTIVE MOIETY
NIH
NCATS
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ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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