(-)-pindolol   Click here for help

GtoPdb Ligand ID: 127

Compound class: Synthetic organic
Comment: One of the enantiomers making up the racemic approved drug pindolol.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 57.28
Molecular weight 248.15
XLogP 1.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1cccc2c1cc[nH]2)CNC(C)C
Isomeric SMILES O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C
InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3/t11-/m0/s1
InChI Key JZQKKSLKJUAGIC-NSHDSACASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
International Nonproprietary Names Click here for help
INN number INN
2698 pindolol
Database Links Click here for help
BindingDB Ligand 50072755
CAS Registry No. 26328-11-0 (source: Scifinder)
ChEBI CHEBI:48281
ChEMBL Ligand CHEMBL117405
GtoPdb PubChem SID 135650828
PubChem CID 688095
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Tocris
(S)-(-)-Pindolol
Cat. No. 1060