Details of the Drug

General Information of Drug (ID: DMA8G6B)

Drug Name
PMID25522065-Compound-5
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 430.5
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C25H23FN4O2
IUPAC Name
4-[(5-fluoropyridin-2-yl)methoxy]-1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
Canonical SMILES
CN1C2=C(C3CCC(C2)N3)C4=C1C=C(C=C4)N5C=CC(=CC5=O)OCC6=NC=C(C=C6)F
InChI
InChI=1S/C25H23FN4O2/c1-29-22-11-18(5-6-20(22)25-21-7-4-16(28-21)10-23(25)29)30-9-8-19(12-24(30)31)32-14-17-3-2-15(26)13-27-17/h2-3,5-6,8-9,11-13,16,21,28H,4,7,10,14H2,1H3
InChIKey
WIHBSZQMVJUBGL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
50903067
TTD ID
D08JMZ

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.