Details of the Drug

General Information of Drug (ID: DMV84PQ)

Drug Name

N-(2-iodoethyl)linoleoylamide

Synonyms

N-(2-iodoethyl)linoleoylamide; CHEMBL448660

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)

433.4

Logarithm of the Partition Coefficient (xlogp)

7.4

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C20H36INO
IUPAC Name: (9Z,12Z)-N-(2-iodoethyl)octadeca-9,12-dienamide
Canonical SMILES: CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCI
InChI: InChI=1S/C20H36INO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,22,23)/b7-6-,10-9-
InChIKey: WVKIJZMEKURTIW-HZJYTTRNSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

Molecular Expression Atlas (MEA)

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References

1	Radiosynthesis, in vitro and in vivo evaluation of 123I-labeled anandamide analogues for mapping brain FAAH. Bioorg Med Chem. 2009 Jan 1;17(1):49-56.