MK-212   Click here for help

GtoPdb Ligand ID: 165

Synonyms: MK 212
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 1
Rotatable bonds 1
Topological polar surface area 41.05
Molecular weight 198.07
XLogP 0.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cncc(n1)N1CCNCC1
Isomeric SMILES Clc1cncc(n1)N1CCNCC1
InChI InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChI Key CJAWPFJGFFNXQI-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2B receptor Hs Agonist Full agonist 6.2 – 6.8 pKi - 2-3
pKi 6.2 – 6.8 [2-3]
5-HT2B receptor Rn Agonist Full agonist 6.4 pKi - 4
pKi 6.4 [4]
5-HT2C receptor Hs Agonist Full agonist 5.6 – 7.0 pKi - 1-3
pKi 5.6 – 7.0 [1-3]
5-HT2A receptor Hs Agonist Full agonist 6.0 pKi - 2
pKi 6.0 [2]