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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19173
CHEMBL19173
Compound Name PROXYFAN
ChEMBL Synonyms proxifan | proxyfan
Max Phase 0
Trade Names
Molecular Formula C13H16N2O

Additional synonyms for CHEMBL19173 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(COCc1ccccc1)Cc2c[nH]cn2
Standard InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15 ...
Download InChI
Standard InChI Key WNWALBVQAAIULR-UHFFFAOYSA-N

Structural Alerts

There are 1 structural alerts for CHEMBL19173. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL19173

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
216.3 216.1263 1.89 6 37.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.4 2.22 1.74 2 16 0.75

Compound Cross References

ChemSpider ChemSpider:WNWALBVQAAIULR-UHFFFAOYSA-N
PubChem SID: 29215555
Wikipedia Proxyfan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19173



BindinDB 22915
Guide to Pharmacology 1255
IBM Patent System 8E33112C79B1C6B180F2C327F1C0C692
IBM Patents WO2010009207A1 EP1085889A2 EP1085870A2 EP1100519A1 EP1083917A1 WO2010075069A1 WO2010056630A1 EP1080080A1 EP1094826A1 EP1003540A1 EP1102597A1 US20030087306 WO2010144664A1 EP1085887A2 US20100144591 WO2010059606A2 WO2010107768A1 EP1107753A1 WO2010009195A1 EP1085847A2 EP1083888A1 US20100093692 EP1083921A1 US20100144764 WO2010056631A1 WO2010075068A1 WO1999066944A1 EP1082289A1 EP1019360A1 EP1083893A1 EP1085868A1 EP1085894A1
LINCS LSM-3732
Nikkaji J780.385K
PubChem 6421522
PubChem: Thomson Pharma 15018514
SureChEMBL SCHEMBL15929504 SCHEMBL4072620

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