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

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)

MIA Detail

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)

MEA Detail

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.