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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL34704
CHEMBL34704
Compound Name
ChEMBL Synonyms U-0126
Max Phase 0
Trade Names
Molecular Formula C18H16N6S2

Additional synonyms for CHEMBL34704 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N\C(=C(\C#N)/C(=C(\N)/Sc1ccccc1N)/C#N)\Sc2ccccc2N
Standard InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12 ...
Download InChI
Standard InChI Key DVEXZJFMOKTQEZ-JYFOCSDGSA-N

Sources

  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL34704

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
380.5 380.0878 2.18 5 202.26 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 6 8 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.73 1.49 1.49 2 26 0.26

Structural Alerts

There are 7 structural alerts for CHEMBL34704. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DVEXZJFMOKTQEZ-JYFOCSDGSA-N
PubChem SID: 26752095 SID: 26752096 SID: 50104749
Wikipedia U0126

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL34704



ACToR 109511-58-2
Brenda 132627 2692 155383
ChEBI 90693 64208
eMolecules 1934373
EPA CompTox Dashboard DTXSID4040470
FDA SRS 8027P94HLL
Guide to Pharmacology 5282
LINCS LSM-42806
Nikkaji J1.372.691D
PDBe 5BM
PubChem 3006531
PubChem: Thomson Pharma 14804608
SureChEMBL SCHEMBL125063
ZINC ZINC000100007148

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