Details of the Drug

General Information of Drug (ID: DMAXHEU)

Drug Name
5-octyl-2-phenoxyphenol
Synonyms
5-OCTYL-2-PHENOXYPHENOL; 5-Octyl-2-phenoxy-phenol; CHEMBL505886; 8PS; 8PP; AC1NRXEO; 2-Phenoxy-5-octylphenol; 5-octyl-2-phenoxy phenol; 5-heptyl-2-phenoxylphenol; SCHEMBL2873469; PT05; BDBM16298; JOWYBLIPWAMIHM-UHFFFAOYSA-N
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) 298.4
Logarithm of the Partition Coefficient (xlogp) 7.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H26O2
IUPAC Name
5-octyl-2-phenoxyphenol
Canonical SMILES
CCCCCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3
InChIKey
JOWYBLIPWAMIHM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5274979
ChEBI ID
CHEMBL505886
TTD ID
D08ZCM
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Fatty acid synthetase I (Bact inhA) TTVTX4N INHA_MYCTU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Natural products, small molecules, and genetics in tuberculosis drug development. J Med Chem. 2008 May 8;51(9):2606-12.