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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL376685
CHEMBL376685
Compound Name DESMOPRESSIN
ChEMBL Synonyms Desmopressin
Max Phase 0
Trade Names
Molecular Formula C46H64N14O12S2

Additional synonyms for CHEMBL376685 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(O)cc ...
Download SMILES
Standard InChI InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36 ...
Download InChI
Standard InChI Key NFLWUMRGJYTJIN-NXBWRCJVSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL376685

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
1069.2 1068.427 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL376685

Compound Cross References

ChemSpider ChemSpider:NFLWUMRGJYTJIN-NXBWRCJVSA-N
PubChem SID: 144206930
Wikipedia Desmopressin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL376685



ACToR 16679-58-6
BindingDB 50205291
DrugBank DB00035
EPA CompTox Dashboard DTXSID1048259
Human Metabolome Database HMDB0014260
Nikkaji J440.271E
PubChem 16051933
SureChEMBL SCHEMBL22510

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