CGP 35348   Click here for help

GtoPdb Ligand ID: 1069

Synonyms: CGP-35348 | CGP35348
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 91.59
Molecular weight 225.11
XLogP -0.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCCP(=O)(C(OCC)OCC)O
Isomeric SMILES NCCCP(=O)(C(OCC)OCC)O
InChI InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)
InChI Key QIIVUOWTHWIXFO-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GABAB receptor Hs Antagonist Antagonist 4.4 pKi - 4
pKi 4.4 [4]
GABAB receptor Rn Antagonist Antagonist 5.4 pIC50 - 1
pIC50 5.4 [1]
GABAB1 Rn Antagonist Antagonist 4.6 – 4.8 pIC50 - 2-3
pIC50 4.6 – 4.8 [2-3]
Ligand mentioned in the following text fields