ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL775
CHEMBL775
Compound Name METANEPHRINE
ChEMBL Synonyms Metanephrine
Max Phase 0
Trade Names
Molecular Formula C10H15NO3

Additional synonyms for CHEMBL775 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNCC(O)c1ccc(O)c(OC)c1
Standard InChI InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5, ...
Download InChI
Standard InChI Key JWJCTZKFYGDABJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL775

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 0.6 4 61.72 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.04 9.13 -.14 -1.93 1 14 0.66

Structural Alerts

There are no structural alerts for CHEMBL775

Compound Cross References

ChemSpider ChemSpider:JWJCTZKFYGDABJ-UHFFFAOYSA-N
Wikipedia Metanephrine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL775



ACToR 5001-33-2
Brenda 8138 24396 171066
ChEBI 89633
eMolecules 29541669
Guide to Pharmacology 6644
Human Metabolome Database HMDB0004063
IBM Patent System 76E3CEA9919DF6A041966BA399B9B8E8
LINCS LSM-1542
Mcule MCULE-8361722883
MolPort MolPort-003-848-535
Nikkaji J22.262C
PubChem 21100
PubChem: Thomson Pharma 15171640
SureChEMBL SCHEMBL136702

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