Details of the Drug

General Information of Drug (ID: DM27KFY)

Drug Name
SB-207266A
Synonyms
Piboserod hydrochloride; Piboserod HCl; Piboserod (hydrochloride); 178273-87-5; UNII-61Z0VMM0AJ; SB 207266A; 61Z0VMM0AJ; Piboserod hydrochloride [USAN]; SB-207266-A; Piboserod hydrochloride (USAN); N-[(1-Butyl-4-piperidinyl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide monohydrochloride; SB 207266 hydrochloride; SB-207266A; AC1L42ON; MLS006010278; SCHEMBL2228911; CHEMBL2106927; DTXSID40170453; UABVCZHWRUGYSR-UHFFFAOYSA-N; MolPort-042-665-633; HY-15574A; AKOS030526663; API0004730; SMR004701348; FT-0724495; D05471
Indication
Disease Entry ICD 11 Status REF
Irritable bowel syndrome DD91.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 406
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C22H32ClN3O2
IUPAC Name
N-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide;hydrochloride
Canonical SMILES
CCCCN1CCC(CC1)CNC(=O)C2=C3N(CCCO3)C4=CC=CC=C42.Cl
InChI
InChI=1S/C22H31N3O2.ClH/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25;/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26);1H
InChIKey
UABVCZHWRUGYSR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
177335
CAS Number
178273-87-5
TTD ID
D01MBV
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Irritable bowel syndrome
ICD Disease Classification DD91.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 4 receptor (HTR4) DTT HTR4 6.16E-01 -0.03 -0.24
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of Department of Pharmacology University of Wisconsin School of Medicine.
2 Irritable bowel syndrome: new agents targeting serotonin receptor subtypes. Drugs. 2001;61(3):317-32.