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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1076
CHEMBL1076
Compound Name DESGLYMIDODRINE
ChEMBL Synonyms Desglymidodrine | Proamatine | Orvaten
Max Phase 0
Trade Names
Molecular Formula C10H15NO3

Additional synonyms for CHEMBL1076 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(OC)c(c1)C(O)CN
Standard InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5, ...
Download InChI
Standard InChI Key VFRCNXKYZVQYLX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1076

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
197.2 197.1052 0.39 4 64.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.84 8.25 .26 -1.19 1 14 0.73

Structural Alerts

There are no structural alerts for CHEMBL1076

Compound Cross References

ChemSpider ChemSpider:VFRCNXKYZVQYLX-UHFFFAOYSA-N
Wikipedia Midodrine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1076



ACToR 3600-87-1
BindingDB 50118702
ChEBI 73248
eMolecules 888169
Human Metabolome Database HMDB0060558
IBM Patent System 3A062D9CB4BB33E7F76EEED2E4DA2EA7
Mcule MCULE-6688431628
MolPort MolPort-001-793-604
Nikkaji J23.583K
PubChem 43260
PubChem: Thomson Pharma 14797429
SureChEMBL SCHEMBL476432

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