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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1364906
CHEMBL1364906
Compound Name LUFENURON
ChEMBL Synonyms Lufenuron
Max Phase 0
Trade Names
Molecular Formula C17H8Cl2F8N2O3

Additional synonyms for CHEMBL1364906 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl
Standard InChI InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,2 ...
Download InChI
Standard InChI Key PWPJGUXAGUPAHP-UHFFFAOYSA-N

Molecule Features

CHEMBL1364906 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 4 structural alerts for CHEMBL1364906. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1364906

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
511.2 509.9784 6.54 6 67.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 2 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.49 - 5.91 5.8 2 32 0.43

Compound Cross References

IRAC C - GROWTH REGULATION
C15 - INHIBITORS OF CHITIN BIOSYNTHESIS, TYPE 0
C1515A - BENZOYLUREAS
C1515A7 - LUFENURON
ChemSpider ChemSpider:PWPJGUXAGUPAHP-UHFFFAOYSA-N
PubChem SID: 144205095 SID: 144211224 SID: 170465736 SID: 26749995 SID: 26753780

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1364906



ACToR 103055-07-8
ChEBI 39384
eMolecules 510889
IBM Patent System F98D4F00C340301FBE54D54E31EF3245
IBM Patents WO2003056921A1 EP2260032A2 EP1736157A1 EP2258195A2 EP1114038A1 WO2003026415A2 EP1509221A1 EP1181267A1 WO2005072525A2 WO2006032462A1 US20090062120 EP1711055A2 WO2010102172A1 US20090036555 US5677307 US20100234229 US7605134 EP1638957B1 EP1569517A1 US7371746 EP0906292B1 US20030203859 WO2009134224A1 US7743552 WO2010145999A2 WO1996033975A1 EP1784076A1 US7671034 WO1999062886A1 EP1831145A1 EP0934252A1 EP2167484A2 EP2263458A1 US20100036117 WO2008076807A2 EP1249165A1 US6630592 US6174540 WO1998003718A1 EP0900208A1 WO2008093347A2 US20040097595 US6359142 US7705047 US7256158 EP1107956A2 EP1692939A1 US7273878 US6090831 EP1175407B1 WO2007054214A1 EP2258180A2 US20090093500 US6521653 EP1139739B1 US7250436 US20080031902 US6416752 WO2008063939A2 EP0758332A1 US7829501 US20090076282 US20090317468 US20070072944 EP0976328A3 US7125564 EP1572612A1 US20080113920 EP0475902A1 US20040249164 WO2003001913A1 WO1998005210A1 WO2001029014A1 WO2000021946A1 US6964124 EP1392695A2 EP1135239A1 EP0740661A1 US20070264299 WO2006138147A1 WO2008091594A2 US20070015664 WO2004103953A1 EP2000029A1 EP2262368A1 US20050124498 WO2009126473A1 WO2005092897A2 WO2006089633A2 WO2003099005A1 WO1999055665A1 EP1223807B1 US20100029776 EP0679644A1 EP1395117B2 US20060013846 WO1998023600A1 EP2136644A2 EP1121357A1 EP1229791A2
KEGG Ligand C18434
LINCS LSM-21613
MolPort MolPort-003-666-645
Nikkaji J481.190I
PubChem 71777
PubChem: Thomson Pharma 14811335
SureChEMBL SCHEMBL27105

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