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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL76768
CHEMBL76768
Compound Name GUVACINE
ChEMBL Synonyms Guvacine | Guvacine Hydrochloride
Max Phase 0
Trade Names
Molecular Formula C6H9NO2

Additional synonyms for CHEMBL76768 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1=CCCNC1
Standard InChI InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
Standard InChI Key QTDZOWFRBNTPQR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL76768

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
127.1 127.0633 -2.72 1 49.33 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.61 11.93 .81 -1.69 0 9 0.4

Structural Alerts

There are 1 structural alerts for CHEMBL76768. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QTDZOWFRBNTPQR-UHFFFAOYSA-N
PubChem SID: 11111208 SID: 11113419 SID: 90340745

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL76768



ACToR 498-96-4 51884-11-8
BindingDB 90787
ChEBI 5576
DrugBank DB08848
eMolecules 1934247
FDA SRS 41538P325K
Guide to Pharmacology 4691
IBM Patent System 28A9F2FA5D3A16F7151AC14A3F3DE0F8
KEGG Ligand C10149
Mcule MCULE-7878143035
Metabolights MTBLC5576
MolPort MolPort-003-179-100
Nikkaji J11.591F
PubChem 40468028 3532
PubChem: Thomson Pharma 15242887
SureChEMBL SCHEMBL336053
ZINC ZINC000003872753

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