nalorphine   Click here for help

GtoPdb Ligand ID: 1629

Synonyms: N-allyl-normorphine
Approved drug
nalorphine is an approved drug
Compound class: Synthetic organic
Comment: This drug does not have marketing approval in the US or European Union. Other national approval agencies may have granted marketing authorisation. In some countries nalorphine may only be used in veterinary practice.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 52.93
Molecular weight 311.15
XLogP 1.1
No. Lipinski's rules broken 0
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Canonical SMILES C=CCN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)O
Isomeric SMILES C=CCN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)O
InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
μ receptor Primary target of this compound Hs Antagonist Antagonist 8.9 pKi - 1
pKi 8.9 [1]
κ receptor Hs Agonist Partial agonist 7.9 – 9.1 pKi - 1-2
pKi 7.9 – 9.1 [1-2]
δ receptor Hs Agonist Partial agonist 7.4 pKi - 1
pKi 7.4 [1]