[3H]MK-912   Click here for help

GtoPdb Ligand ID: 527

Synonyms: [3H]L-657,743
 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 0
Topological polar surface area 39.93
Molecular weight 339.19
XLogP 2.12
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCC2(N(C1=O)C)CCN1C(C2)c2oc3c(c2CC1)cccc3
Isomeric SMILES O=C1N(C)[C@]2(CCN3[C@H](C2)c2oc4c(c2CC3)cccc4)CCN1C([3H])([3H])[3H]
InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3/t16-,20+/m1/s1/i1T3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
α2C-adrenoceptor Hs Antagonist Antagonist 10.1 pKd - 1
pKd 10.1 (Kd 8.6x10-11 M) [1]
α2A-adrenoceptor Hs Antagonist Antagonist 8.9 pKd - 1
pKd 8.9 (Kd 1.25x10-9 M) [1]
α2B-adrenoceptor Hs Antagonist Antagonist 8.9 pKd - 1
pKd 8.9 (Kd 1.36x10-9 M) [1]