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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104907
CHEMBL2104907
Compound Name FENOZOLONE
ChEMBL Synonyms PHENOZOLONE | LD 3394 | FENOZOLONE
Max Phase 0
Trade Names
Molecular Formula C11H12N2O2

Additional synonyms for CHEMBL2104907 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC1=NC(=O)C(O1)c2ccccc2
Standard InChI InChI=1S/C11H12N2O2/c1-2-12-11-13-10(14)9(15-11)8-6-4-3-5-7- ...
Download InChI
Standard InChI Key RXOIEVSUURELPG-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2104907

Molecule Features

CHEMBL2104907 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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
Attention Deficit Disorder with HyperactivityD001289EFO:0003888attention deficit hyperactivity disorder0ATC

Clinical Data

ClinicalTrials.gov FENOZOLONE
The Cochrane Collaboration FENOZOLONE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2104907. 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
CHEMBL242 Estrogen receptor beta Homo sapiens 0.997
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.870

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL242 Estrogen receptor beta Homo sapiens 0.996
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.956

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
204.2 204.0899 1.25 2 50.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.83 1.3 1.3 1 15 0.79

Structural Alerts

There are no structural alerts for CHEMBL2104907

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06B - PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
N06BA - Centrally acting sympathomimetics
N06BA08 - fenozolone

ChemSpider ChemSpider:RXOIEVSUURELPG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104907



ACToR 15302-16-6
ChEBI 134865
DrugCentral 1157
Nikkaji J8.554E
PubChem 71682
PubChem: Thomson Pharma 16936791
SureChEMBL SCHEMBL727655

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