Drug Information
Drug General Information | Top | |||
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Drug ID |
D0I4DJ
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Former ID |
DIB018731
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Drug Name |
AAE-M-PBP-amine
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Synonyms |
acetylaminoethyl-methyl-phenylbutoxyphenyl-amine
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C21H28N2O2
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Canonical SMILES |
CC(=O)NCCN(C)C1=CC(=CC=C1)OCCCCC2=CC=CC=C2
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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)
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InChIKey |
VJIVACBGAAEDPS-UHFFFAOYSA-N
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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Target(s) | Melatonin receptor type 1A (MTNR1A) | Target Info | Agonist | [2] |
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 | Top | |||
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REF 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: 8289). | |||
REF 2 | MT1-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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