Details of the Drug

General Information of Drug (ID: DMNJ7LY)

Drug Name
SB 203186
Synonyms
SB 203186; SB-203186; 2-piperidin-1-ylethyl 1H-indole-3-carboxylate; Tocris-0785; NCGC00015921-01; Lopac-S-0443; Biomol-NT_000150; AC1MN68M; Lopac0_000347; GTPL255; BPBio1_000617; SCHEMBL1041116; CHEMBL1255781; ZINC14457; CHEBI:92477; BDBM85778; YGKPIROTKVQCCU-UHFFFAOYSA-N; CCG-204442; NCGC00024790-03; NCGC00015921-02; NCGC00024790-01; NCGC00024790-02; NCGC00015921-04; NCGC00015921-03; CAS_135938-17-9; (1-piperidinyl)ethyl 1h-indole 3-carboxylate; 2-(1-piperidyl)ethyl 1H-indole-3-carboxylate; 2-(1-Piperidyl)ethyl 1 H-indole-3-carboxy
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 272.34
Topological Polar Surface Area (xlogp) 3.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H20N2O2
IUPAC Name
2-piperidin-1-ylethyl 1H-indole-3-carboxylate
Canonical SMILES
C1CCN(CC1)CCOC(=O)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2
InChIKey
YGKPIROTKVQCCU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3272300
ChEBI ID
CHEBI:92477
TTD ID
D0E8KS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 4 receptor (HTR4) TT07C3Y 5HT4R_HUMAN Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 4 receptor (HTR4) DTT HTR4 3.29E-01 -0.04 -0.05
5-HT 4 receptor (HTR4) DTT HTR4 4.25E-01 0.03 0.13
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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2 Metoclopramide stimulates catecholamine- and granin-derived peptide secretion from pheochromocytoma cells through activation of serotonin type 4 (5... Endocr Relat Cancer. 2009 Mar;16(1):281-90.
3 Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
4 Irritable bowel syndrome: new agents targeting serotonin receptor subtypes. Drugs. 2001;61(3):317-32.
5 The in vitro pharmacological profile of TD-5108, a selective 5-HT(4) receptor agonist with high intrinsic activity. Naunyn Schmiedebergs Arch Pharmacol. 2008 Jul;378(1):125-37.
6 Pharmacology and metabolism of renzapride : a novel therapeutic agent for the potential treatment of irritable bowel syndrome. Drugs R D. 2008;9(1):37-63.
7 The effects of lintopride, a 5HT-4 antagonist, on oesophageal motility. Aliment Pharmacol Ther. 1995 Oct;9(5):563-9.
8 The Pharmacology of TD-8954, a Potent and Selective 5-HT(4) Receptor Agonist with Gastrointestinal Prokinetic Properties. Front Pharmacol. 2011 May 30;2:25.
9 A randomized trial of 5-hydroxytryptamine4-receptor agonist, YKP10811, on colonic transit and bowel function in functional constipation. Clin Gastroenterol Hepatol. 2015 Apr;13(4):701-8.e1.