piboserod   Click here for help

GtoPdb Ligand ID: 225

Synonyms: SB 207256 | SB 207266 | SB 207266-A | SB207256
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 46.5
Molecular weight 369.24
XLogP 5.48
No. Lipinski's rules broken 1
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Canonical SMILES CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2
Isomeric SMILES CCCCN1CCC(CC1)CNC(=O)c1c2OCCCn2c2c1cccc2
InChI InChI=1S/C22H31N3O2/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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7587 piboserod
Synonyms Click here for help
SB 207256 | SB 207266 | SB 207266-A | SB207256
Database Links Click here for help
Specialist databases
GPCRdb Ligand piboserod
Other databases
CAS Registry No. 152811-62-6 (source: Scifinder)
ChEMBL Ligand CHEMBL356359
GtoPdb PubChem SID 135650823
PubChem CID 177336
Search Google for chemical match using the InChIKey KVCSJPATKXABRQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KVCSJPATKXABRQ
Search PubMed clinical trials piboserod
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Search PubMed titles/abstracts piboserod
UniChem Compound Search for chemical match using the InChIKey KVCSJPATKXABRQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KVCSJPATKXABRQ-UHFFFAOYSA-N
Wikipedia Piboserod