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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL219376
CHEMBL219376
Compound Name OXYCINCHOPHEN
ChEMBL Synonyms HYDROXYCINCOPHENE | OXYCINCHOPHEN | OXICINCHOPHEN
Max Phase 0
Trade Names
Molecular Formula C16H11NO3

Additional synonyms for CHEMBL219376 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1c(O)c(nc2ccccc12)c3ccccc3
Standard InChI InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14 ...
Download InChI
Standard InChI Key XAPRFLSJBSXESP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL219376

Molecule Features

CHEMBL219376 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

ClinicalTrials.gov OXYCINCHOPHEN
The Cochrane Collaboration OXYCINCHOPHEN

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 CHEMBL219376. 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
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 1.000
CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus 0.994
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.994
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.842
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.777
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.510
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 0.477
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.436
CHEMBL2431 Serine/threonine-protein kinase AKT2 Homo sapiens 0.248



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1966 Dihydroorotate dehydrogenase Homo sapiens 1.000
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 1.000
CHEMBL5375 Hepatitis C virus NS5B RNA-dependent RNA polymerase Hepatitis C virus 0.998
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.995
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.984
CHEMBL4869 Prion protein Homo sapiens 0.976
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.931
CHEMBL4372 Anthrax lethal factor Bacillus anthracis 0.858
CHEMBL4801 Caspase-1 Homo sapiens 0.740
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.730
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.722
CHEMBL4625 Apoptosis regulator Bcl-X Homo sapiens 0.453
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.440
CHEMBL215 Arachidonate 5-lipoxygenase Homo sapiens 0.371
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.310
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.288
CHEMBL2431 Serine/threonine-protein kinase AKT2 Homo sapiens 0.243
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.218

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
265.3 265.0739 3.31 2 70.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.55 4.24 5.05 1.87 3 20 0.75

Structural Alerts

There are no structural alerts for CHEMBL219376

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M01 - ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01C - SPECIFIC ANTIRHEUMATIC AGENTS
M01CA - Quinolines
M01CA03 - oxycinchophen

ChemSpider ChemSpider:XAPRFLSJBSXESP-UHFFFAOYSA-N
PubChem SID: 170466564

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL219376



ACToR 485-89-2
BindingDB 50201927
ChEBI 135094
DrugCentral 3413
eMolecules 30483755
EPA CompTox Dashboard DTXSID0057750
FDA SRS UK6392GD5W
IBM Patent System B2F604C25C03D0357F19A31FE9BB674C
Mcule MCULE-1827697513
Nikkaji J10.586D
PubChem 10239
PubChem: Thomson Pharma 14750321
SureChEMBL SCHEMBL1170683
ZINC ZINC000000001877

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