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Chemical structure of Irdabisant

GC69290

Irdabisant

Also known as 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one

Irdabisant (CEP-26401) is a selective, orally active and blood-brain barrier permeable antagonist/inverse agonist of the histamine H3 receptor (H3R), with Ki values of 7·2 nM for rat H3R and 2·0 nM for human H3R· Irdabisant has relatively low inhibitory activity on hERG currents, with an IC50 value of 13·8 μM· In rat social cognition models, Irdabisant has cognitive enhancing and arousal effects· Irdabisant can be used in research related to schizophrenia or cognitive impairment

ChemicalCAS1005402-19-6MW313.39FormulaC18H23N3O2
CAS number
1005402-19-6
Molecular weight
313.39
Formula
C18H23N3O2
Solubility
DMSO ： 50 mg/mL (159·55 mM; Need ultrasonic)
InChIKey
XUKROCVZGZNGSI-CQSZACIVSA-N
Catalogue number
GC69290
Brand
GLPBIO
Computed properties PubChem CID 25070031 · XLogP 2.5 · TPSA 53.9 Ų · H-bond donors 1
XLogP
2.5
TPSA
53.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23

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

Computed descriptors from PubChem (CID 25070031), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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