pentylthio-TZTP   Click here for help

GtoPdb Ligand ID: 304

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 82.56
Molecular weight 283.12
XLogP 3.16
No. Lipinski's rules broken 0
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Canonical SMILES CCCCCSc1nsnc1C1=CCCN(C1)C
Isomeric SMILES CCCCCSc1nsnc1C1=CCCN(C1)C
InChI InChI=1S/C13H21N3S2/c1-3-4-5-9-17-13-12(14-18-15-13)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
M4 receptor Hs Agonist Full agonist 8.7 pKi - 1
pKi 8.7 [1]
M1 receptor Hs Agonist Full agonist 8.6 pKi - 1
pKi 8.6 [1]
M3 receptor Hs Agonist Full agonist 8.1 pKi - 1
pKi 8.1 [1]
M2 receptor Hs Agonist Full agonist 7.9 pKi - 1
pKi 7.9 [1]