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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1165011
CHEMBL1165011
Compound Name AMPYRONE
ChEMBL Synonyms 4-Aminoantipyrine
Max Phase 0
Trade Names
Molecular Formula C11H13N3O

Additional synonyms for CHEMBL1165011 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1N(C(=O)C(=C1C)N)c2ccccc2
Standard InChI InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/ ...
Download InChI
Standard InChI Key RLFWWDJHLFCNIJ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1165011

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
203.3 203.1059 1.07 1 52.95 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.07 -.26 -.26 2 15 0.75

Structural Alerts

There are no structural alerts for CHEMBL1165011

Compound Cross References

ChemSpider ChemSpider:RLFWWDJHLFCNIJ-UHFFFAOYSA-N
PubChem SID: 11112217 SID: 144206903 SID: 170466661 SID: 26748316 SID: 56463364
Wikipedia Ampyrone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1165011



ACToR 83-07-8
BindingDB 85515
Brenda 144121 105431 43416
ChEBI 59026
eMolecules 476456
EPA CompTox Dashboard DTXSID8048860
FDA SRS 0M0B7474RA
IBM Patent System DA9D5E1BB371965747855BC2ED0E8174
LINCS LSM-5369
Mcule MCULE-4331793421
Metabolights MTBLC59026
MolPort MolPort-000-725-328
Nikkaji J796J
NMRShiftDB 20112708
PubChem 2151
PubChem: Thomson Pharma 15220065
SureChEMBL SCHEMBL128544
ZINC ZINC000000061079

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