Details of the Drug

General Information of Drug (ID: DM4W5X8)

Drug Name

Palmitoleic Acid

Synonyms

palmitoleic acid; (Z)-Hexadec-9-enoic acid; cis-9-Hexadecenoic acid; 373-49-9; 9-cis-Hexadecenoic acid; zoomaric acid; (Z)-9-hexadecenoic acid; cis-9-palmitoleic acid; palmitoleate; (9Z)-Hexadecenoic acid; Palmitolinoleic acid; cis-Palmitoleic acid; 9Z-hexadecenoic acid; (9Z)-hexadec-9-enoic acid; Hexadecenoate; Oleopalmitate; Zoomerate; Zoomeric acid; cis-Palmitoleate; 9-Hexadecenoate; Oleopalmitic acid; UNII-209B6YPZ4I; 9-cis-hexadecenoate; 9Z-palmitoleic acid; cis-Delta(9)-hexadecenoic acid; (Z)-Palmitoleic acid

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)

254.41

Logarithm of the Partition Coefficient (xlogp)

6.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C16H30O2
IUPAC Name: (Z)-hexadec-9-enoic acid
Canonical SMILES: CCCCCC/C=C\\CCCCCCCC(=O)O
InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
InChIKey: SECPZKHBENQXJG-FPLPWBNLSA-N

Cross-matching ID

PubChem CID: 445638
ChEBI ID: CHEBI:28716
CAS Number: 373-49-9
DrugBank ID: DB04257
TTD ID: D02TRN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pseudomonas UDP-3-O-acyl-GlcNAc deacetylase (Pseudo lpxC)	TT0OFWN	LPXC_PSEAE	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Phospholipid-transporting ATPase ABCA1 (ABCA1)	OT94G6BQ	ABCA1_HUMAN	Protein Interaction/Cellular Processes	[3]
Serum paraoxonase/arylesterase 1 (PON1)	OTD0Z2XO	PON1_HUMAN	Gene/Protein Processing	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5547).
2	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3	Unsaturated fatty acids phosphorylate and destabilize ABCA1 through a phospholipase D2 pathway. J Biol Chem. 2005 Oct 28;280(43):35896-903. doi: 10.1074/jbc.M506210200. Epub 2005 Aug 23.
4	Preferential inhibition of paraoxonase activity of human paraoxonase 1 by negatively charged lipids. J Lipid Res. 2004 Dec;45(12):2211-20.