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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL464135
CHEMBL464135
Compound Name DYRENE
ChEMBL Synonyms Dyrene
Max Phase 0
Trade Names
Molecular Formula C9H5Cl3N4

Additional synonyms for CHEMBL464135 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccccc1Nc2nc(Cl)nc(Cl)n2
Standard InChI InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16 ...
Download InChI
Standard InChI Key IMHBYKMAHXWHRP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL464135

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
275.5 273.958 4.39 2 50.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .43 3 3 2 16 0.88

Structural Alerts

There are 3 structural alerts for CHEMBL464135. To view alerts please click here.

Compound Cross References

FRAC M - MULTI-SITE CONTACT ACTIVITY
M1 - MULTI-SITE CONTACT ACTIVITY
M1M8 - TRIAZINES
M1M8A - TRIAZINES
M1M8A1 - ANILAZINE
ChemSpider ChemSpider:IMHBYKMAHXWHRP-UHFFFAOYSA-N
PubChem SID: 144211498 SID: 17390042 SID: 50105464
Wikipedia Anilazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL464135



ACToR 101-05-3
ChEBI 82076
eMolecules 509530
EPA CompTox Dashboard DTXSID9020089
FDA SRS C6E8Y03ZJN
IBM Patent System 0E10E516BA0DD298DC3243C0BB85AC7E D29E8CCE0B44F40E17F856DE86C56EA4
KEGG Ligand C18935
Mcule MCULE-9336846068
Nikkaji J5.237J
PubChem 7541
PubChem: Thomson Pharma 14872816
SureChEMBL SCHEMBL13280
ZINC ZINC000000154979

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