Details of the Drug

General Information of Drug (ID: DM57GQN)

Drug Name

N-(2-(4-hexyl-2-hydroxyphenoxy)phenyl)acetamide

Synonyms

CHEMBL264176

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)

327.4

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H25NO3
IUPAC Name: N-[2-(4-hexyl-2-hydroxyphenoxy)phenyl]acetamide
Canonical SMILES: CCCCCCC1=CC(=C(C=C1)OC2=CC=CC=C2NC(=O)C)O
InChI: InChI=1S/C20H25NO3/c1-3-4-5-6-9-16-12-13-20(18(23)14-16)24-19-11-8-7-10-17(19)21-15(2)22/h7-8,10-14,23H,3-6,9H2,1-2H3,(H,21,22)
InChIKey: UNZWUCCAARAPNJ-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]

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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.