Details of the Drug

General Information of Drug (ID: DMHNRXT)

Drug Name

5-hexyl-2-phenoxyphenol

Synonyms

5-hexyl-2-phenoxyphenol; 5-Hexyl-2-phenoxy-phenol; 6PP; AIDS227446; AC1NRXEM; 2-Phenoxy-5-hexylphenol; 5-hexyl-2-phenoxylphenol; SCHEMBL2878546; PT04; CHEMBL264682; BDBM16297; SXGQGHHNOWYMRT-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)

270.4

Logarithm of the Partition Coefficient (xlogp)

6.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H22O2
IUPAC Name: 5-hexyl-2-phenoxyphenol
Canonical SMILES: CCCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2)O
InChI: InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3
InChIKey: SXGQGHHNOWYMRT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5274977
TTD ID: D08KWS

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	Synthesis and in vitro antimycobacterial activity of B-ring modified diaryl ether InhA inhibitors. Bioorg Med Chem Lett. 2008 May 15;18(10):3029-33.