Drug Information

Drug (ID: DG01488) and It's Reported Resistant Information
Name
N-arachidonoyl dopamine
Synonyms
NADA; N-Arachidonoyl dopamine; Arachidonoyl dopamine; 199875-69-9; N-Arachidonyldopamine; N-Arachidonyl dopamine; Arachidonyl dopamine; N-arachidonoyldopamine; (5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide; CHEMBL138921; CHEBI:31231; N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-dopamine; N-[2-(3,4-Dihydroxyphenyl)ethyl]-5Z,8Z,11Z,14Z-eicosatetraenamide; NADA dopamine; 5,8,11,14-Eicosatetraenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-,(5Z,8Z,11Z,14Z)-; AA-DA; n-arachidonoyl-dopamine; SCHEMBL154051; BML3-G03; GTPL4261; N-arachidonoyl-dopamine (NADA); BDBM20462; DTXSID70415208; HMS3649B19; ZINC4102443; 1907AH; LMFA08020084; AKOS015951332; NCGC00161231-03; NCGC00161231-04; NCGC00161231-05; HY-110018; SR-01000946639; Q3869319; SR-01000946639-1; Arachidonoyl dopamine, >=98% (HPLC), ethanol solution
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Indication
In total 1 Indication(s)
Bacterial infection [ICD-11: 1A00-1C4Z]
Investigative
[1]
Structure
Click to Show/Hide the Molecular Information and External Link(s) of This Drug
Formula
17
IsoSMILES
CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-
InChIKey
MVVPIAAVGAWJNQ-DOFZRALJSA-N
PubChem CID
5282105
ChEBI ID
CHEBI:31231
TTD Drug ID
D00YCO
Type(s) of Resistant Mechanism of This Drug
  UAPP: Unusual Activation of Pro-survival Pathway
Drug Resistance Data Categorized by Their Corresponding Diseases
ICD-02: Benign/in-situ/malignant neoplasm
Click to Show/Hide the Resistance Disease of This Class
Solid tumour/cancer [ICD-11: 2A00-2F9Z]
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Drug Sensitivity Data Categorized by Their Corresponding Mechanisms
  Unusual Activation of Pro-survival Pathway (UAPP) Click to Show/Hide
Key Molecule: GTPase Nras (NRAS) [1]
Sensitive Disease Solid tumour/cancer [ICD-11: 2A00-2F9Z]
 Disease Info 
Molecule Alteration Missense mutation
p.G12D (c.35G>A)
 Molecule Info 
Wild Type Structure Method: X-ray diffraction Resolution: 1.40  Å
PDB: 6VJJ
Mutant Type Structure Method: X-ray diffraction Resolution: 2.10  Å
PDB: 8JHL
   Download The Information of Sequence       Download The Structure File   
RMSD: 1.55
TM score: 0.9318
Amino acid change:
G12D
 : Wild Type Structure
 : Mutant Type Structure
  Mutation site(s) have been marked in red
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Click to Show/Hide the Structure
Experimental Note Revealed Based on the Cell Line Data
In Vitro Model Ba/F3 cells Colon Homo sapiens (Human) CVCL_0161
NIH3T3 cells Embryo Homo sapiens (Human) CVCL_0594
WEHI-3 cells Peripheral blood Mus musculus (Mouse) CVCL_3622
Bosc23 cells Fetal kidney Homo sapiens (Human) CVCL_4401
Experiment for
Molecule Alteration		 Western blot analysis
Experiment for
Drug Resistance		 Promega assay
Mechanism Description N-Arachidonoyl Dopamine Inhibits NRAS Neoplastic Transformation by Suppressing Its Plasma Membrane Translocation.
References
Ref 1 N-Arachidonoyl Dopamine Inhibits NRAS Neoplastic Transformation by Suppressing Its Plasma Membrane TranslocationMol Cancer Ther. 2017 Jan;16(1):57-67. doi: 10.1158/1535-7163.MCT-16-0419. Epub 2016 Oct 19.

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