SB 206553   Click here for help

GtoPdb Ligand ID: 189

Synonyms: SB-206,553 | SB-206553
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.16
Molecular weight 292.13
XLogP 1.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1
Isomeric SMILES O=C(N1CCc2c1cc1ccn(c1c2)C)Nc1cccnc1
InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
InChI Key QJQORSLQNXDVGE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
Synonyms Click here for help
SB-206,553 | SB-206553
Database Links Click here for help
Specialist databases
GPCRdb Ligand SB 206553
Other databases
BindingDB Ligand 50060417
ChEMBL Ligand CHEMBL297784
GtoPdb PubChem SID 135650985
PubChem CID 5163
Search Google for chemical match using the InChIKey QJQORSLQNXDVGE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QJQORSLQNXDVGE
UniChem Compound Search for chemical match using the InChIKey QJQORSLQNXDVGE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QJQORSLQNXDVGE-UHFFFAOYSA-N
Wikipedia SB-206,553