Drug Information
Drug General Information | Top | |||
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Drug ID |
D07MFG
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Former ID |
DIB019075
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Drug Name |
CBOBNEA
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Synonyms |
carboxybiphenyloxy-butoxy-naphthalen-ethylacetamide
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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 |
C31H31NO5
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Canonical SMILES |
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O
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InChI |
1S/C31H31NO5/c1-22(33)32-18-17-26-6-4-5-25-13-16-29(21-30(25)26)37-20-3-2-19-36-28-14-11-24(12-15-28)23-7-9-27(10-8-23)31(34)35/h4-16,21H,2-3,17-20H2,1H3,(H,32,33)(H,34,35)
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InChIKey |
VTMXSWVEWDJSKG-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: 7778). | |||
REF 2 | Design, synthesis and pharmacological evaluation of novel naphthalenic derivatives as selective MT(1) melatoninergic ligands. Bioorg Med Chem. 2010 May 15;18(10):3426-36. |
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