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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 | [N-Methyl-11C]Vorozole | R 83842 | RIVIZOR
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

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL224060

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
NEOPLASMSD009369EFO:0000616NEOPLASM4ATC

Clinical Data

ClinicalTrials.gov VOROZOLE
The Cochrane Collaboration VOROZOLE

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
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.988
CHEMBL4409 Phosphodiesterase 10A Homo sapiens 0.270

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL5747 CREB-binding protein Homo sapiens 0.986
CHEMBL5141 Cytochrome P450 26A1 Homo sapiens 0.969
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.661
CHEMBL3401 Pregnane X receptor Homo sapiens 0.439
CHEMBL4409 Phosphodiesterase 10A Homo sapiens 0.245

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

Structural Alerts

There are no structural alerts for CHEMBL224060

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
BindingDB 50378780
ChEBI 135387
DrugCentral 3651
EPA CompTox Dashboard DTXSID20156230
FDA SRS 1E2S9YXV2A
IBM Patent System 7A393F14B8930D5F210E3525387299AF
Nikkaji J473.358D
PubChem 6918191
PubChem: Drugs of the Future 12014601
PubChem: Thomson Pharma 14874924
SureChEMBL SCHEMBL4554
ZINC ZINC000003791538

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