Details of the Drug

General Information of Drug (ID: DMC1GYH)

Drug Name

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide

Synonyms

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide; CHEMBL394635; BDBM22994; N-arachidonoylserotonin analogue, 1g

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): 2

Molecular Weight (mw)

344.5

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H32N2O2
IUPAC Name: N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]undecanamide
Canonical SMILES: CCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI: InChI=1S/C21H32N2O2/c1-2-3-4-5-6-7-8-9-10-21(25)22-14-13-17-16-23-20-12-11-18(24)15-19(17)20/h11-12,15-16,23-24H,2-10,13-14H2,1H3,(H,22,25)
InChIKey: RNYSECALLZNZML-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	New N-arachidonoylserotonin analogues with potential "dual" mechanism of action against pain. J Med Chem. 2007 Dec 27;50(26):6554-69.