hydromorphone   Click here for help

GtoPdb Ligand ID: 7082

Synonyms: Dilaudid® | hydromorphone hydrochloride | Palladone®
Approved drug
hydromorphone is an approved drug (FDA (1984))
Comment: Hydromorphone is an opioid receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 49.77
Molecular weight 285.14
XLogP 0.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1CCC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O
Isomeric SMILES O=C1CC[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O
InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,16,19H,3,5-8H2,1H3/t10-,11+,16-,17-/m0/s1
InChI Key WVLOADHCBXTIJK-YNHQPCIGSA-N
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 Agonist Agonist 9.6 pKi - 1
pKi 9.6 (Ki 2.8x10-10 M) [1]
κ receptor Hs Agonist Agonist 8.6 pKi - 1
pKi 8.6 (Ki 2.8x10-9 M) [1]
δ receptor Hs Agonist Agonist 7.4 pKi - 1
pKi 7.4 (Ki 3.8x10-8 M) [1]