HYDROMORPHONE

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Search structure


Synonyms	Dilaudid Dilaudid-HP Dimorphone Hydromorphon Hydromorphone IDS-NH-004 Jurnista N02AA03 NSC-19046 Novolaudon Palladone
Status
Molecule Category	Free-form
ATC	N02AA03
UNII	Q812464R06
EPA CompTox	DTXSID8023133


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	WVLOADHCBXTIJK-YNHQPCIGSA-N
Smiles	CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H19NO3
Molecular Weight	285.34
AlogP	1.63
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	49.77
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	21.0

Assay Description	Organism	Bioactivity	Reference
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting	Homo sapiens	0.28 nM
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting	Homo sapiens	38.0 nM
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting	Homo sapiens	2.8 nM
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	Homo sapiens	2.6 nM
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding	Homo sapiens	11.0 nM

Related Entries

Cross References

Resources	Reference
ChEBI	5790
ChEMBL	CHEMBL398707
DrugBank	DB00327
DrugCentral	1393
FDA SRS	Q812464R06
Human Metabolome Database	HMDB0014472
Guide to Pharmacology	7082
KEGG	C07042
PharmGKB	PA449918
PubChem	5284570
SureChEMBL	SCHEMBL2255
ZINC	ZINC000000402954

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).