Details of the Drug

General Information of Drug (ID: DMSI0HE)

Drug Name
TZI-41127
Synonyms
Tzi-41127; 104007-80-9; 2-(4-Hydroxy-3,5-dimethylphenyl)-5-methoxy-3-methylindole; CHEMBL76586; Phenol,4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-; OZFHUMGEWVYBRM-UHFFFAOYSA-N; ACMC-1BUG2; AC1L2TV9; SCHEMBL10459430; CTK4A2589; DTXSID20146217; Phenol, 4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-; BDBM50283452; 4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
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) 281.3
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H19NO2
IUPAC Name
4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
Canonical SMILES
CC1=CC(=CC(=C1O)C)C2=C(C3=C(N2)C=CC(=C3)OC)C
InChI
InChI=1S/C18H19NO2/c1-10-7-13(8-11(2)18(10)20)17-12(3)15-9-14(21-4)5-6-16(15)19-17/h5-9,19-20H,1-4H3
InChIKey
OZFHUMGEWVYBRM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
128480
CAS Number
104007-80-9
TTD ID
D01SQY

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 Design of pyrrolo-1,4-benzoxazine derivatives as inhibitors of 5-lipoxygenase and PAF antagonists with anthihistaminic properties, Bioorg. Med. Chem. Lett. 4(20):2383-2388 (1994).