sabcomeline   Click here for help

GtoPdb Ligand ID: 306

Synonyms: SB-202026
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 48.62
Molecular weight 193.12
XLogP 0.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CON=C(C1CN2CCC1CC2)C#N
Isomeric SMILES CO/N=C(/[C@H]1CN2CCC1CC2)\C#N
InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
InChI Key IQWCBYSUUOFOMF-QTLFRQQHSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
M4 receptor Hs Agonist Partial agonist 7.2 pKi - 1
pKi 7.2 [1]
M5 receptor Hs Agonist Partial agonist 7.1 pKi - 1
pKi 7.1 [1]
M3 receptor Hs Agonist Partial agonist 7.0 pKi - 1
pKi 7.0 [1]
M1 receptor Hs Agonist Partial agonist 6.7 pKi - 1
pKi 6.7 [1]