Details of the Drug

General Information of Drug (ID: DMYZMX6)

Drug Name
PMID25522065-Compound-7
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 414.5
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C26H30N4O
IUPAC Name
1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)-4-(2-phenylethyl)piperazin-2-one
Canonical SMILES
CN1C2=C(C3CCC(C2)N3)C4=C1C=C(C=C4)N5CCN(CC5=O)CCC6=CC=CC=C6
InChI
InChI=1S/C26H30N4O/c1-28-23-16-20(8-9-21(23)26-22-10-7-19(27-22)15-24(26)28)30-14-13-29(17-25(30)31)12-11-18-5-3-2-4-6-18/h2-6,8-9,16,19,22,27H,7,10-15,17H2,1H3
InChIKey
JXBCIEBMTZBYLB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
58092191
TTD ID
D0L2EQ

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.