Details of the Drug

General Information of Drug (ID: DMR3E4L)

• Drug Name: Irdabisant
• Synonyms: CEP-26401

Indication

Disease Entry	ICD 11	Status	REF
Cognitive impairment	6D71	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 313.4
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H23N3O2
  IUPAC Name: 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
  Canonical SMILES: C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C3=NNC(=O)C=C3
  InChI: 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
  InChIKey: XUKROCVZGZNGSI-CQSZACIVSA-N
• Cross-matching ID:
  PubChem CID: 25070031
  ChEBI ID: CHEMBL1829335
  CAS Number: 1005402-19-6
  UNII: WH7ISP34KA
  DrugBank ID: DB12900
  TTD ID: D0R2OU
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• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Cognitive impairment
• ICD Disease Classification: 6D71

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

References

• [1] ClinicalTrials.gov (NCT01903824) Pharmacokinetics and Pharmacodynamics (PK/PD) of CEP-26401 in Healthy Subjects. U.S. National Institutes of Health.
• [2] CEP-26401 (irdabisant), a potent and selective histamine H receptor antagonist/inverse agonist with cognition-enhancing and wake-promoting activities. J Pharmacol Exp Ther. 2012 Jan;340(1):124-33.