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
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.