Details of the Drug

General Information of Drug (ID: DMB93QU)

Drug Name
PMID25522065-Compound-28
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 443.9
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C23H26ClN3O4
IUPAC Name
5-[(4-chlorophenyl)methoxymethyl]-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-oxadiazole
Canonical SMILES
COC1=C(C=CC(=C1)C2=NOC(=N2)COCC3=CC=C(C=C3)Cl)OCCN4CCCC4
InChI
InChI=1S/C23H26ClN3O4/c1-28-21-14-18(6-9-20(21)30-13-12-27-10-2-3-11-27)23-25-22(31-26-23)16-29-15-17-4-7-19(24)8-5-17/h4-9,14H,2-3,10-13,15-16H2,1H3
InChIKey
KTSBQVGVFAEOBK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71496168
TTD ID
D0KJ9U

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.