[3H]diprenorphine   Click here for help

GtoPdb Ligand ID: 1612

Synonyms: [15,16-3H]diprenorphine
 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 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 62.16
Molecular weight 425.26
XLogP 2.52
No. Lipinski's rules broken 0
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Canonical SMILES COC12CCC3(CC1C(O)(C)C)C14C2Oc2c4c(CC3N(CC1)CC1CC1)ccc2O
Isomeric SMILES CO[C@]12CC[C@]3(C[C@@H]1C(O)(C)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(C(C1[3H])[3H])CC1CC1)ccc2O
InChI InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1/i10T,11T/t10?,11?,18-,19-,22-,24-,25+,26-
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
μ receptor Mm Antagonist Antagonist 10.1 pKd - 2
pKd 10.1 (Kd 7.94x10-11 M) [2]
κ receptor Hs Antagonist Antagonist 9.1 pKd - 1,3
pKd 9.1 (Kd 7.94x10-10 M) [1,3]
δ receptor Hs Agonist Full agonist 9.3 pKi - 1,4
pKi 9.3 (Ki 5.01x10-10 M) [1,4]