SB 258719   Click here for help

GtoPdb Ligand ID: 281

Synonyms: SB-258,719 | SB-258719 | SB258719
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 0
Rotatable bonds 6
Topological polar surface area 49
Molecular weight 338.2
XLogP 3.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1CCN(CC1)CCC(N(S(=O)(=O)c1cccc(c1)C)C)C
Isomeric SMILES CC1CCN(CC1)CC[C@H](N(S(=O)(=O)c1cccc(c1)C)C)C
InChI InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1
InChI Key AGVNHDNTFYHZNL-QGZVFWFLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
Synonyms Click here for help
SB-258,719 | SB-258719 | SB258719
Database Links Click here for help
Specialist databases
GPCRdb Ligand SB 258719
Other databases
BindingDB Ligand 50098550
ChEMBL Ligand CHEMBL12264
GtoPdb PubChem SID 135651000
PubChem CID 5312148
Search Google for chemical match using the InChIKey AGVNHDNTFYHZNL-QGZVFWFLSA-N
Search Google for chemicals with the same backbone AGVNHDNTFYHZNL
UniChem Compound Search for chemical match using the InChIKey AGVNHDNTFYHZNL-QGZVFWFLSA-N
UniChem Connectivity Search for chemical match using the InChIKey AGVNHDNTFYHZNL-QGZVFWFLSA-N
Wikipedia SB-258,719