NIP   

GtoPdb Ligand ID: 546

Synonyms: N-isopropyl-phenoxypropanolamine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 41.49
Molecular weight 209.14
XLogP 1.76
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(COc1ccccc1)CNC(C)C
Isomeric SMILES OC(COc1ccccc1)CNC(C)C
InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChI Key ONXLHKFGTDDVLQ-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
β1-adrenoceptor Hs Antagonist Antagonist 8.4 pKi - 1
pKi 8.4 [1]
β2-adrenoceptor Hs Antagonist Antagonist 7.5 pKi - 1
pKi 7.5 [1]