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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1500
CHEMBL1500
Compound Name DIHYDROMORPHINE
ChEMBL Synonyms Dihydromorphine
Max Phase 0
Trade Names
Molecular Formula C17H21NO3

Additional synonyms for CHEMBL1500 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CC[C@@]23[C@H]4CC[C@H](O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35
Standard InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12( ...
Download InChI
Standard InChI Key IJVCSMSMFSCRME-KBQPJGBKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1500

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
287.4 287.1521 1.42 0 52.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.56 8.44 .09 -.94 1 21 0.76

Structural Alerts

There are no structural alerts for CHEMBL1500

Compound Cross References

ChemSpider ChemSpider:IJVCSMSMFSCRME-KBQPJGBKSA-N
PubChem SID: 144206439
Wikipedia Dihydromorphine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1500



BindingDB 50452273
Brenda 45479
ChEBI 4575
DrugBank DB01565
EPA CompTox Dashboard DTXSID7048908
FDA SRS C3S5FRP6JW
Guide to Pharmacology 1616
Human Metabolome Database HMDB0060929 HMDB0060548
IBM Patent System A813B2737CA5640FCCF372CD5A232F96
KEGG Ligand C11782
Metabolights MTBLC4575
Nikkaji J6.251K
PubChem 5359421
PubChem: Thomson Pharma 15096631
SureChEMBL SCHEMBL26346
ZINC ZINC000004102205

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IJVCSMSMFSCRME-KBQPJGBKSA-N spacer
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