ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15063
CHEMBL15063
Compound Name ATRAZINE
ChEMBL Synonyms Atrazine
Max Phase 0
Trade Names
Molecular Formula C8H14ClN5

Additional synonyms for CHEMBL15063 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNc1nc(Cl)nc(NC(C)C)n1
Standard InChI InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4 ...
Download InChI
Standard InChI Key MXWJVTOOROXGIU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15063

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
215.7 215.0938 2.54 4 62.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.27 2.64 2.64 1 14 0.81

Structural Alerts

There are 3 structural alerts for CHEMBL15063. To view alerts please click here.

Compound Cross References

HRAC C1 - INHIBITION OF PHOTOSYNTHESIS AT PHOTOSYSTEM II
C11 - TRIAZINE
C112 - ATRAZINE
ChemSpider ChemSpider:MXWJVTOOROXGIU-UHFFFAOYSA-N
PubChem SID: 144209184 SID: 144211338 SID: 17390035 SID: 22407690 SID: 26752800 SID: 56314826
Wikipedia Atrazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15063



ACToR 11121-31-6 1912-24-9
Brenda 1113
ChEBI 15930
DrugBank DB07392
eMolecules 495715
EPA CompTox Dashboard DTXSID9020112
FDA SRS QJA9M5H4IM
Human Metabolome Database HMDB0041830
IBM Patent System 090D43859892F8BF32B48773C6855B40
KEGG Ligand C06551
LINCS LSM-18990
Mcule MCULE-1965771911
MolPort MolPort-000-476-263
Nikkaji J3.685D
PDBe ATZ
PubChem 2256
PubChem: Thomson Pharma 15172027
Rhea 15930
SureChEMBL SCHEMBL36936
ZINC ZINC000003078958

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