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
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 272.34
  Logarithm of the Partition Coefficient (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 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

References

• [1] 5-Hydroxytryptamine mediated contractions in isolated preparations of equine ileum and pelvic flexure: pharmacological characterization of a new 5-HT(4) agonist. J Vet Pharmacol Ther. 2002 Feb;25(1):49-58.