Details of the Drug

General Information of Drug (ID: DMYRILU)

Drug Name
ICI-211965
Synonyms 129424-08-4; ZM-211965
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): 1 Molecular Weight (mw) 389.5
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H23NO2S
IUPAC Name
2-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole
Canonical SMILES
CCC(C1=CC(=CC=C1)OCC2=CC3=CC=CC=C3C=C2)(C4=NC=CS4)OC
InChI
InChI=1S/C24H23NO2S/c1-3-24(26-2,23-25-13-14-28-23)21-9-6-10-22(16-21)27-17-18-11-12-19-7-4-5-8-20(19)15-18/h4-16H,3,17H2,1-2H3
InChIKey
XYRDHZXSQUWVCD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
164272
CAS Number
129424-08-4
TTD ID
D0F4HT

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 Modulator [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Polyunsaturated fatty acid 5-lipoxygenase (ALOX5) OT7FOIK2 LOX5_HUMAN Gene/Protein Processing [2]
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 DOI: 10.1517/13543776.2.11.1817
2 Criteria for the identification of non-redox inhibitors of 5-lipoxygenase. Biochem Pharmacol. 1993 Feb 24;45(4):978-81.