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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28971
CHEMBL28971
Compound Name FENARIMOL
ChEMBL Synonyms DNDI1246778
Max Phase 0
Trade Names
Molecular Formula C17H12Cl2N2O

Additional synonyms for CHEMBL28971 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl
Standard InChI InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11- ...
Download InChI
Standard InChI Key NHOWDZOIZKMVAI-UHFFFAOYSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL28971

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
331.2 330.0327 4.07 3 46.01 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.23 1.67 3.1 3.1 3 22 0.79

Structural Alerts

There are 2 structural alerts for CHEMBL28971. To view alerts please click here.

Compound Cross References

FRAC G - STEROL BIOSYNTHESIS IN MEMBRANES
G1 - C14-DEMETHYLASE IN STEROL BIOSYNTHESIS (ERG11/CYP51)
G13 - DMI-FUNGICIDES (DEMETHYLATION INHIBITORS) (SBI: CLASS I)
G13C - PYRIMIDINES
G13C1 - FENARIMOL
ChemSpider ChemSpider:NHOWDZOIZKMVAI-UHFFFAOYSA-N
PubChem SID: 144208829 SID: 144210967 SID: 26757333 SID: 29216449

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28971



ACToR 162707-16-6 60168-88-9
BindingDB 50024511
ChEBI 83686
eMolecules 509834
EPA CompTox Dashboard DTXSID2032390
Human Metabolome Database HMDB0040599
IBM Patent System 94AAAD633255F50D57E3969E1677995B
KEGG Ligand C11226
Nikkaji J18.180C
PubChem 43226
PubChem: Thomson Pharma 15470685
SureChEMBL SCHEMBL42209

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