Details of the Drug

General Information of Drug (ID: DMB1CZ8)

Drug Name
Guanfacine extended release
Synonyms
Palmitoylethanolamide; Palmidrol; 544-31-0; N-(2-Hydroxyethyl)hexadecanamide; Impulsin; Palmitamide MEA; Hydroxyethylpalmitamide; N-palmitoylethanolamine; N-(2-Hydroxyethyl)palmitamide; Palmitic acid monoethanolamide; Palmitoyl-EA; Loramine P 256; Palmitoyl ethanolamide; Palmidrolum; palmitylethanolamide; HEXADECANAMIDE, N-(2-HYDROXYETHYL)-; Palmidrol [INN]; Palmidrolum [INN-Latin]; UNII-6R8T1UDM3V; Palmitinsaeure-beta-hydroxyethylamid; Monoethanolamine palmitic acid amide; NSC 23320; hexadecanoyl ethanolamide; Anandamide (16:0)
Indication
Disease Entry ICD 11 Status REF
Attention deficit hyperactivity disorder 6A05.Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 299.5
Logarithm of the Partition Coefficient (xlogp) 6.2
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H37NO2
IUPAC Name
N-(2-hydroxyethyl)hexadecanamide
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NCCO
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
InChIKey
HXYVTAGFYLMHSO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4671
ChEBI ID
CHEMBL417675
CAS Number
544-31-0
UNII
6R8T1UDM3V
DrugBank ID
DB14043
TTD ID
D07ILQ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP 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
Adrenergic receptor Alpha-2 (ADRA2) TTQ8AFT NOUNIPROTAC Agonist [1]
Cannabinoid receptor 2 (CB2) TTMSFAW CNR2_HUMAN Agonist [2]
G-protein coupled receptor 55 (GPR55) TTNET8J GPR55_HUMAN Agonist [3]
Glucose-dependent insulinotropic receptor (GPR119) TT7QNVC GP119_HUMAN Agonist [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Aquaporin-4 (AQP4) OTA9MYD5 AQP4_HUMAN Gene/Protein Processing [5]
ATP-dependent translocase ABCB1 (ABCB1) OTEJROBO MDR1_HUMAN Regulation of Drug Effects [6]
Claudin-3 (CLDN3) OT71MN9S CLD3_HUMAN Gene/Protein Processing [5]
Claudin-5 (CLDN5) OTUX60YO CLD5_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Attention deficit hyperactivity disorder
ICD Disease Classification 6A05.Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 2 (CB2) DTT CNR2 3.82E-02 -0.43 -1.18
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging drugs for attention-deficit/hyperactivity disorder. Expert Opin Emerg Drugs. 2007 Sep;12(3):423-34.
2 Posttraining activation of CB1 cannabinoid receptors in the CA1 region of the dorsal hippocampus impairs object recognition long-term memory. Neurobiol Learn Mem. 2008 Sep;90(2):374-81.
3 The orphan receptor GPR55 is a novel cannabinoid receptor. Br J Pharmacol. 2007 Dec;152(7):1092-101.
4 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. (Target id: 126).
5 Palmitoylethanolamide and Cannabidiol Prevent Inflammation-induced Hyperpermeability of the Human Gut In Vitro and In Vivo-A Randomized, Placebo-controlled, Double-blind Controlled Trial. Inflamm Bowel Dis. 2019 May 4;25(6):1006-1018. doi: 10.1093/ibd/izz017.
6 Intestinal P-glycoprotein exports endocannabinoids to prevent inflammation and maintain homeostasis. J Clin Invest. 2018 Aug 31;128(9):4044-4056. doi: 10.1172/JCI96817. Epub 2018 Aug 13.