[11C]MMTP   Click here for help

GtoPdb Ligand ID: 6212

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 87.97
Molecular weight 352.1
XLogP 2.97
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C
Isomeric SMILES [11CH3]Oc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(ccn1)N(C)C
InChI InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3/i3-1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu1 receptor Rn Allosteric modulator Negative 9.2 pKi - 1
pKi 9.2 (Ki 6x10-10 M) [1]
mGlu1 receptor Hs Allosteric modulator Negative 8.0 pIC50 - 1
pIC50 8.0 (IC50 9.5x10-9 M) [1]