Details of the Drug

General Information of Drug (ID: DMU1P3T)

Drug Name
SK&F 107649
Synonyms ZINC5266
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 312.4
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H20N2O3
IUPAC Name
1-hydroxy-1-(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
Canonical SMILES
C1CC(C2=C(C1)C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)N)O
InChI
InChI=1S/C18H20N2O3/c19-18(21)20(22)17-8-4-7-14-11-15(9-10-16(14)17)23-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,22H,4,7-8,12H2,(H2,19,21)
InChIKey
HGXVXGSOOPCMHM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
197400
CAS Number
139148-95-1
TTD ID
D07LMV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Selective inhibition of 5-lipoxygenase attenuates glomerulonephritis in the rat. Kidney Int. 1994 May;45(5):1301-10.