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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL20852
CHEMBL20852
Compound Name
ChEMBL Synonyms 3-Aminophenylboronic Acid | M-Aminophenylboronic Acid | 3-Aminophenyl Boronic Acid
Max Phase 0
Trade Names
Molecular Formula C6H8BNO2

Additional synonyms for CHEMBL20852 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc(c1)B(O)O
Standard InChI InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2
Standard InChI Key JMZFEHDNIAQMNB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL20852

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
137 137.0648 - - - -


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 CHEMBL20852

Compound Cross References

ChemSpider ChemSpider:JMZFEHDNIAQMNB-UHFFFAOYSA-N
PubChem SID: 26753148

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL20852



ACToR 30418-59-8 280563-63-5
BindingDB 50067906
Brenda 158888 59050 31836
ChemicalBook CB1357730
DrugBank DB01896
eMolecules 727975
IBM Patent System 21442F0A29C73598496E5217B4BD0A3D
MolPort MolPort-000-140-839
Nikkaji J249.985A
PDBe APB
PubChem 92269
PubChem: Thomson Pharma 15194571
SureChEMBL SCHEMBL22913
ZINC ZINC000169743006

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