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]
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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
TTD ID: D08ZCM

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.