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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL224060
CHEMBL224060
Compound Name VOROZOLE
ChEMBL Synonyms Vorozole | Rivizor | R-83842 | [N-Methyl-11C]Vorozole
Max Phase 0
Trade Names
Molecular Formula C16H13ClN6

Additional synonyms for CHEMBL224060 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1nnc2ccc(cc12)[C@H](c3ccc(Cl)cc3)n4cncn4
Standard InChI InChI=1S/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-1 ...
Download InChI
Standard InChI Key XLMPPFTZALNBFS-INIZCTEOSA-N

Molecule Features

CHEMBL224060 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer 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 CHEMBL224060

Alternate Forms of Compound in ChEMBL


CHEMBL224060

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 CHEMBL224060. 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
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL5141 Cytochrome P450 26A1 Homo sapiens 0.968
CHEMBL3401 Pregnane X receptor Homo sapiens 0.587

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
324.8 324.089 3.47 3 61.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.87 1.15 1.15 4 23 0.58

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 - ENDOCRINE THERAPY
L02B - HORMONE ANTAGONISTS AND RELATED AGENTS
L02BG - Aromatase inhibitors
L02BG05 - vorozole

ChemSpider ChemSpider:XLMPPFTZALNBFS-INIZCTEOSA-N
Wikipedia Vorozole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL224060



ACToR 129731-10-8
BindinDB 50378780
FDA SRS 1E2S9YXV2A
IBM Patent System 7A393F14B8930D5F210E3525387299AF
IBM Patents EP2061814A2 WO2010127324A2 WO2010012740A1 US20080004266 US20060079441 EP1140193A2 US20050233327 WO2005082079A2 WO2006055697A2 EP1968636A2 WO2004022097A1 WO2001087307A2 US20080206193 US20090156640 EP1644408A1 US20080045463 US20080300165 US20080234300 US20060287245 EP1416935B8 US20100197745 US7771727 EP2248537A1 EP2209492A1 US7652028 US20050014724 US20090285792 EP2201840A1 WO2006014653A1 US20070254811 EP1348706A1 EP1904526A2 US7598028 WO2009009739A2 WO2006089015A2 WO2007070319A2 WO2008006883A2 US20060293222 US6387920 EP2178896A1 US20070265296 US7678363 US20040052855 US6911306 EP1868648A2 WO2007017643A1 EP1029868A1 EP2181108A2 WO2008019025A2 WO2007080124A1 EP1144003A1 WO2007061909A1 US20090131437 WO2007139960A2 US20030204090 EP1915626A2 WO2005073404A2 US20050059671 WO2003061559A2 EP1385518B1 US20100135956 EP1994056A2 US20080213269 EP2050748A1 EP1383578A1 WO2005117954A2 EP2078205A2 US7183288 EP1851230A1 US7507759 US20040116330 US20070148178 WO2008066634A2 WO2003076421A1 EP1753455A2 WO2005120437A2 US20040242659 WO2009105457A2 US20040224919 WO2008070593A2 WO2003051880A1 US7060697 US7772433 US20100016413 US20070281934 EP1787985A1 WO2007056470A3 EP1771474A2 EP2004652A1 US20060079673 US20100167945 US20090042920 EP1776138B1 EP1296984B1 WO2010111631A1 US7795288 EP1664041B1 EP2231187A1 US20100158850 EP1746995A1
Nikkaji J473.358D
PubChem 6918191
PubChem: Drugs of the Future 12014601
PubChem: Thomson Pharma 14874924
SureChEMBL SCHEMBL4554

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