Drug Information

Drug General Information
Drug ID
D0I4DJ
Former ID
DIB018731
Drug Name
AAE-M-PBP-amine
Synonyms
acetylaminoethyl-methyl-phenylbutoxyphenyl-amine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [543042]
Structure
Download
2D MOL
Formula
C21H28N2O2
InChI
InChI=1S/C21H28N2O2/c1-18(24)22-14-15-23(2)20-12-8-13-21(17-20)25-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,17H,6-7,11,14-16H2,1-2H3,(H,22,24)
InChIKey
VJIVACBGAAEDPS-UHFFFAOYSA-N
PubChem Compound ID
24763223
PubChem Substance ID
49682856, 56175535, 103923940, 229417812, 242634196, 245456881, 252166501
Target and Pathway
Target(s) Melatonin receptor Target Info Agonist [532022]
KEGG Pathway Neuroactive ligand-receptor interaction
Circadian entrainment
Reactome Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Small Ligand GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 543042(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: 8289).
Ref 532022MT1-selective melatonin receptor ligands: synthesis, pharmacological evaluation, and molecular dynamics investigation of N-{[(3-O-substituted)anilino]alkyl}amides. ChemMedChem. 2012 Nov;7(11):1954-64.

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