Details of the Drug

General Information of Drug (ID: DM5FQH8)

Drug Name

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

Synonyms

CHEMBL394636; BDBM22995; N-arachidonoylserotonin analogue, 1h

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): 2

Molecular Weight (mw)

358.5

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H34N2O2
IUPAC Name: N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]dodecanamide
Canonical SMILES: CCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI: InChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-22(26)23-15-14-18-17-24-21-13-12-19(25)16-20(18)21/h12-13,16-17,24-25H,2-11,14-15H2,1H3,(H,23,26)
InChIKey: MOQBGJJXYJJJFQ-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]

------------------------------------------------------------------------------------

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.