Details of the Drug

General Information of Drug (ID: DM92HZG)

Drug Name
PMID25522065-Compound-13
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 460.5
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C26H28N4O4
IUPAC Name
[3-[3-methyl-4-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
Canonical SMILES
CC1=C(C=CC(=C1)OC2CN(C2)C(=O)C3=NN=C(O3)C4=CC=CC=C4)CN5CC6(C5)CCOC6
InChI
InChI=1S/C26H28N4O4/c1-18-11-21(8-7-20(18)12-29-15-26(16-29)9-10-32-17-26)33-22-13-30(14-22)25(31)24-28-27-23(34-24)19-5-3-2-4-6-19/h2-8,11,22H,9-10,12-17H2,1H3
InChIKey
FMNDCDNBXCVEBC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71226268
TTD ID
D0FQ4W

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Melanin-concentrating hormone receptor 1 (MCHR1) TTX4RTB MCHR1_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Melanin-concentrating hormone receptor 1 (MCHR1) DTT MCHR1 6.98E-01 -0.01 -0.04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel MCH1 receptor antagonists: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):193-207.