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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL277474
CHEMBL277474
Compound Name ANTIPYRINE
ChEMBL Synonyms Phenazon | Antipyrin | Antipyrine | PHENAZONE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C11H12N2O

Additional synonyms for CHEMBL277474 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1N(C(=O)C=C1C)c2ccccc2
Standard InChI InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3 ...
Download InChI
Standard InChI Key VEQOALNAAJBPNY-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL277474

Molecule Features

CHEMBL277474 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov ANTIPYRINE
The Cochrane Collaboration ANTIPYRINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL277474. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.833
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.761
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.481
CHEMBL3138 Dopamine D3 receptor Rattus norvegicus 0.225

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.731
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.728
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.267
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
188.2 188.095 1.22 1 23.55 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .65 .44 .44 1 14 0.66

Structural Alerts

There are no structural alerts for CHEMBL277474

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BB - Pyrazolones
N02BB51 - phenazone, combinations excl. psycholeptics

S - SENSORY ORGANS
S02 - OTOLOGICALS
S02D - OTHER OTOLOGICALS
S02DA - Analgesics and anesthetics
S02DA03 - phenazone

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BB - Pyrazolones
N02BB71 - phenazone, combinations with psycholeptics

N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BB - Pyrazolones
N02BB01 - phenazone

ChemSpider ChemSpider:VEQOALNAAJBPNY-UHFFFAOYSA-N
PubChem SID: 104171279 SID: 11112159 SID: 144203893 SID: 144208798 SID: 144213343 SID: 170465510 SID: 26753718 SID: 56320742
Wikipedia Phenazone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277474



ACToR 123175-91-7 60-80-0
BindingDB 50103600
ChEBI 31225
DrugBank DB01435
DrugCentral 861
eMolecules 478166
EPA CompTox Dashboard DTXSID6021117
FDA SRS T3CHA1B51H
Human Metabolome Database HMDB0015503
IBM Patent System AA4F06143786C42C9C3BE3C3E565A8E0
KEGG Ligand C13244
LINCS LSM-3038
Mcule MCULE-9945022433
Nikkaji J2.340J
PharmGKB PA448453
PubChem 2206
PubChem: Thomson Pharma 14797281
Recon antipyrene
Selleck antipyrine
SureChEMBL SCHEMBL20452
ZINC ZINC000000061044

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