MNI-135   

GtoPdb Ligand ID: 6219

Synonyms: MNI 135
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 65.25
Molecular weight 401
XLogP 3.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I
Isomeric SMILES N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I
InChI InChI=1S/C17H12IN3O/c18-13-4-5-15-16(9-13)21-17(22)7-6-14(20-15)12-3-1-2-11(8-12)10-19/h1-5,8-9H,6-7H2,(H,21,22)/b20-14+
InChI Key SJYIGECDHTXFFG-XSFVSMFZSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu3 receptor Rn Allosteric modulator Negative 7.5 pEC50 - 1
pEC50 7.5 (EC50 3.02x10-8 M) [1]
mGlu2 receptor Rn Allosteric modulator Negative 7.5 – 7.7 pIC50 - 1
pIC50 7.5 – 7.7 (IC50 3.02x10-8 – 1.96x10-8 M) [1]
mGlu2 receptor Hs Allosteric modulator Negative 6.9 – 8.0 pIC50 - 1
pIC50 6.9 – 8.0 (IC50 1.18x10-7 – 1.05x10-8 M) [1]