Details of the Drug

General Information of Drug (ID: DMG5PL7)

Drug Name

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

Synonyms

CHEMBL236385; BDBM22991; N-arachidonoylserotonin analogue, 1d

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)

438.6

Logarithm of the Partition Coefficient (xlogp)

7.3

Rotatable Bond Count (rotbonds)

17

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C28H42N2O2
IUPAC Name: (9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12-dienamide
Canonical SMILES: CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI: InChI=1S/C28H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h6-7,9-10,18-19,22-23,30-31H,2-5,8,11-17,20-21H2,1H3,(H,29,32)/b7-6-,10-9-
InChIKey: YJVMJUDLMFBYFZ-HZJYTTRNSA-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.