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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 | Antipyrine | Phenazone
Max Phase 3
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

Molecule Features

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL277474

Alternate Forms of Compound in ChEMBL


CHEMBL277474

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 0.560
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.522
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.445

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.528
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.454
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.275

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 BASE


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
- 10.38 3.61 .89 1 14 0.66

Compound Cross References

ATC 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
N02BB51 - phenazone, combinations excl. psycholeptics

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

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

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277474



ACToR 123175-91-7 60-80-0
ChEBI 31225
DrugBank DB01435
eMolecules 478166
FDA SRS T3CHA1B51H
Human Metabolome Database HMDB15503
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 ZINC00061044

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