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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL82321
CHEMBL82321
Compound Name
ChEMBL Synonyms Anthracen-1-Ylamine | 1-Aminoanthracene
Max Phase 0
Trade Names
Molecular Formula C14H11N

Additional synonyms for CHEMBL82321 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc2cc3ccccc3cc12
Standard InChI InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12) ...
Download InChI
Standard InChI Key YUENFNPLGJCNRB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL82321

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
193.3 193.0891 3.58 0 26.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 1 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.21 3.5 3.5 3 15 0.43

Structural Alerts

There are 8 structural alerts for CHEMBL82321. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YUENFNPLGJCNRB-UHFFFAOYSA-N
Wikipedia Anthramine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL82321



ACToR 610-49-1 62813-37-0
ChEBI 40678
DrugBank DB01976
eMolecules 476440
EPA CompTox Dashboard DTXSID00209859
FDA SRS 8H6056DWN2
IBM Patent System 66A5F8950EFA9B16A1C523DB290CCF73
Mcule MCULE-3216119187
MolPort MolPort-000-928-113
Nikkaji J3.649H
NMRShiftDB 20198986
PDBe ANC
PubChem 11885
PubChem: Thomson Pharma 15171572
SureChEMBL SCHEMBL168479
ZINC ZINC000001689948

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