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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14638
CHEMBL14638
Compound Name CIPROXIFAN
ChEMBL Synonyms Ciproxifan With But-2-Enedioic Acid | Ciproxifan
Max Phase 0
Trade Names
Molecular Formula C16H18N2O2

Additional synonyms for CHEMBL14638 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(C1CC1)c2ccc(OCCCc3c[nH]cn3)cc2
Standard InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1 ...
Download InChI
Standard InChI Key ACQBHJXEAYTHCY-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • GSK Kinetoplastid Screening
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14638

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
270.3 270.1368 2.57 7 54.98 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
- 7.35 2.33 1.89 2 20 0.62

Structural Alerts

There are 2 structural alerts for CHEMBL14638. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ACQBHJXEAYTHCY-UHFFFAOYSA-N
PubChem SID: 29217532 SID: 29217533 SID: 90341100
Wikipedia Ciproxifan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14638



BindingDB 27213
ChEBI 125467
eMolecules 28326227
EPA CompTox Dashboard DTXSID50171532
FDA SRS 5EVQ7IRG99
Guide to Pharmacology 1265
IBM Patent System E3A06ECAEFD6E2F4D8DC4A9E9AD400C1
LINCS LSM-36959
MolPort MolPort-027-720-958
Nikkaji J1.029.368E
PubChem 6422124
PubChem: Drugs of the Future 57304380
PubChem: Thomson Pharma 14774960
SureChEMBL SCHEMBL3335184
ZINC ZINC000001892860

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