Details of the Drug

General Information of Drug (ID: DMLIMOP)

Drug Name

5-hexyl-2-(pyridin-2-yloxy)phenol

Synonyms

CHEMBL264679

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)

271.35

Logarithm of the Partition Coefficient (xlogp)

5.3

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H21NO2
IUPAC Name: 5-hexyl-2-pyridin-2-yloxyphenol
Canonical SMILES: CCCCCCC1=CC(=C(C=C1)OC2=CC=CC=N2)O
InChI: InChI=1S/C17H21NO2/c1-2-3-4-5-8-14-10-11-16(15(19)13-14)20-17-9-6-7-12-18-17/h6-7,9-13,19H,2-5,8H2,1H3
InChIKey: GGLAALKBNDMDTG-UHFFFAOYSA-N

Cross-matching ID

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	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.