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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2251450
CHEMBL2251450
Compound Name NICOSULFURON
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H18N6O6S

Additional synonyms for CHEMBL2251450 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
Standard InChI InChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25) ...
Download InChI
Standard InChI Key RTCOGUMHFFWOJV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2251450

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
410.4 410.1009 0.1 6 152.71 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 0 12 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.61 - 1.09 -.9 2 28 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL2251450. To view alerts please click here.

Compound Cross References

HRAC B - INHIBITION OF ACETOLACTATE SYNTHASE ALS (ACETOHYDROXYACID SYNTHASE AHAS)
B1 - SULFONYLUREA
B118 - NICOSULFURON
ChemSpider ChemSpider:RTCOGUMHFFWOJV-UHFFFAOYSA-N
PubChem SID: 144212159

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2251450



ACToR 111991-09-4
Brenda 151285
ChEBI 7554
ChemicalBook CB3198674
eMolecules 2725321
EPA CompTox Dashboard DTXSID6034764
FDA SRS CG297D9264
IBM Patent System 07EA507006DC59C7E71E86EFBDA5BF3B
KEGG Ligand C10949
MolPort MolPort-005-933-922
Nikkaji J429.827F
PubChem 73281 51380907
PubChem: Thomson Pharma 14757622
SureChEMBL SCHEMBL22938
ZINC ZINC000001532072

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