Details of the Drug

General Information of Drug (ID: DM2GPF6)

Drug Name

2-Hydroxy-2-phenyl-nonanoic acid amide

Synonyms

CHEMBL287713

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): 0

Molecular Weight (mw)

249.35

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H23NO2
IUPAC Name: 2-hydroxy-2-phenylnonanamide
Canonical SMILES: CCCCCCCC(C1=CC=CC=C1)(C(=O)N)O
InChI: InChI=1S/C15H23NO2/c1-2-3-4-5-9-12-15(18,14(16)17)13-10-7-6-8-11-13/h6-8,10-11,18H,2-5,9,12H2,1H3,(H2,16,17)
InChIKey: FXKCDILPUXRDAT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Inhibitor	[1]
Voltage-gated sodium channel alpha Nav1.3 (SCN3A)	TTAXZ0K	SCN3A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Comparative molecular field analysis of hydantoin binding to the neuronal voltage-dependent sodium channel. J Med Chem. 1999 May 6;42(9):1537-45.