Details of the Drug

General Information of Drug (ID: DMUM3YW)

Drug Name
PMID25522065-Compound-25
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 478
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C28H32ClN3O2
IUPAC Name
4-[(4-chlorophenyl)methoxy]-1-[6-[[2-(propan-2-ylamino)ethylamino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
Canonical SMILES
CC(C)NCCNCC1=CC2=C(C=C1)C=C(CC2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H32ClN3O2/c1-20(2)31-13-12-30-18-22-3-6-24-16-26(10-7-23(24)15-22)32-14-11-27(17-28(32)33)34-19-21-4-8-25(29)9-5-21/h3-6,8-9,11,14-17,20,30-31H,7,10,12-13,18-19H2,1-2H3
InChIKey
SCTPFHKOHPCDLG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
72195244
TTD ID
D0RX2U

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.