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
ChEBI ID
CHEMBL423835
CAS Number
129424-08-4
TTD ID
D0F4HT
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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]
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