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]
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) 13
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
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
CHEMBL453509
CAS Number
373-49-9
UNII
209B6YPZ4I
DrugBank ID
DB04257
TTD ID
D02TRN
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

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]
Molecular Interaction Atlas (MIA) 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.