Details of the Drug

General Information of Drug (ID: DM8JHWS)

Drug Name

(5E,8E,11E,14E)-Icosa-5,8,11,14-tetraenal

Synonyms

CHEMBL373333; (5E,8E,11E,14E)-Icosa-5,8,11,14-tetraenal; SCHEMBL1800772

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)

288.5

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

14

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C20H32O
IUPAC Name: (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenal
Canonical SMILES: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC=O
InChI: InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h6-7,9-10,12-13,15-16,20H,2-5,8,11,14,17-19H2,1H3/b7-6+,10-9+,13-12+,16-15+
InChIKey: XTZSIVLWZNRBAB-CGRWFSSPSA-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	The taming of capsaicin. Reversal of the vanilloid activity of N-acylvanillamines by aromatic iodination. J Med Chem. 2005 Jul 14;48(14):4663-9.