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
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
| 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 |
CNS Activity
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Discovery and characterization of 6-{4-[3-(R)-2-methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one (CEP-26401, irdabisant): a potent, selective histamine H3 receptor inverse agonist. | 2011 Jul 14 |
|
| CEP-26401 (irdabisant), a potent and selective histamine H₃ receptor antagonist/inverse agonist with cognition-enhancing and wake-promoting activities. | 2012 Jan |
|
| Pharmacokinetics, pharmacodynamics and safety of CEP-26401, a high-affinity histamine-3 receptor antagonist, following single and multiple dosing in healthy subjects. | 2016 Oct |
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
Edited
Fri Dec 15 16:01:22 GMT 2023
by
admin
on
Fri Dec 15 16:01:22 GMT 2023
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| Record UNII |
WH7ISP34KA
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| Record Status |
Validated (UNII)
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CHEMBL1829335
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ACTIVE MOIETY |
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