Details of the Drug

General Information of Drug (ID: DMTPQUA)

Drug Name
LY-2624803
Synonyms
HY-10275; Insomnia therapy, Hypnion; Insomnia therapy, Lilly; Dual-acting oral H1 receptor inverse agonist/5-HT 2a receptor modulator (insomnia), Hypnion; Dual-acting oral H1 receptor inverse agonist/5-HT 2a receptor modulator (insomnia), Lilly
Indication
Disease Entry ICD 11 Status REF
Insomnia 7A00-7A0Z Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 379.5
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H25N3O3
IUPAC Name
3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylpropanoic acid
Canonical SMILES
CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O
InChI
InChI=1S/C22H25N3O3/c1-22(2,21(26)27)15-24-11-13-25(14-12-24)20-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23-20/h3-10H,11-15H2,1-2H3,(H,26,27)
InChIKey
UEFWDVMEDFCHGW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11567064
CAS Number
879409-35-5
UNII
63J9EQ81YC
DrugBank ID
DB15092
TTD ID
D04HAF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H1 receptor (H1R) TTTIBOJ HRH1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Insomnia
ICD Disease Classification 7A00-7A0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H1 receptor (H1R) DTT HRH1 6.74E-01 0.13 0.43
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00784875) An Efficacy Study of Compound LY2624803 in the Treatment of Patients With Chronic Insomnia. U.S. National Institutes of Health.
2 Current Phase II investigational therapies for insomnia. Expert Opin Investig Drugs. 2015 Mar;24(3):401-11.