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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23N3O2
Molecular Weight 313.3941
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRDABISANT

SMILES

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C3=NNC(=O)C=C3

InChI

InChIKey=XUKROCVZGZNGSI-CQSZACIVSA-N
InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H23N3O2
Molecular Weight 313.3941
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

IRDABISANT is a histamine H3 receptor inverse agonist with potential therapeutic utility in cognition enhancement.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

Irdabisant had high affinity for both human (Ki=2.0 nM) and rat (Ki=7.2 nM) histamine H3 receptor with greater than 1000-fold selectivity over the human histamine H1 receptor, histamine H2 receptor, and histamine H4 receptor subtypes and against an in vitro panel of 418 G-protein-coupled receptors, ion channels, transporters, and enzymes.
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:01:22 GMT 2023
Edited
by admin
on Fri Dec 15 16:01:22 GMT 2023
Record UNII
WH7ISP34KA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IRDABISANT
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
CEP26401
Code English
Irdabisant [WHO-DD]
Common Name English
CEP-26401
Code English
IRDABISANT [USAN]
Common Name English
irdabisant [INN]
Common Name English
Code System Code Type Description
USAN
XX-146
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID50143375
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
NCI_THESAURUS
C170078
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
DRUG BANK
DB12900
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
FDA UNII
WH7ISP34KA
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
INN
9470
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
SMS_ID
300000018053
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
PUBCHEM
25070031
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
CAS
1005402-19-6
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
ChEMBL
CHEMBL1829335
Created by admin on Fri Dec 15 16:01:22 GMT 2023 , Edited by admin on Fri Dec 15 16:01:22 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY