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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL278489
CHEMBL278489
Compound Name DCMU
ChEMBL Synonyms Diuron
Max Phase 0
Trade Names
Molecular Formula C9H10Cl2N2O

Additional synonyms for CHEMBL278489 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
Standard InChI InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3- ...
Download InChI
Standard InChI Key XMTQQYYKAHVGBJ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL278489

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
233.1 232.017 3.09 1 32.34 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.54 - 2.68 2.68 1 14 0.79

Structural Alerts

There are no structural alerts for CHEMBL278489

Compound Cross References

HRAC C2 - INHIBITION OF PHOTOSYNTHESIS AT PHOTOSYSTEM II
C21 - UREA
C215 - DIURON
ChemSpider ChemSpider:XMTQQYYKAHVGBJ-UHFFFAOYSA-N
PubChem SID: 144204844 SID: 144208636 SID: 144211333 SID: 170466802 SID: 26747721 SID: 26753693
Wikipedia DCMU

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL278489



ACToR 330-54-1 102962-29-8
Brenda 89444 20249 107569 29457 139214 122924
ChEBI 116509
ChemicalBook CB4163723
eMolecules 509776 27677901
EPA CompTox Dashboard DTXSID0020446
FDA SRS 9I3SDS92WY
IBM Patent System 876C98E432A45C0F4CCF71748A27ECF6
KEGG Ligand C18428
LINCS LSM-25609
Mcule MCULE-1921281405
MolPort MolPort-001-837-578
Nikkaji J30.227I
PDBe W9M
PubChem 3120
PubChem: Thomson Pharma 15114694
SureChEMBL SCHEMBL7279
ZINC ZINC000000057287

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