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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL525191
CHEMBL525191
Compound Name
ChEMBL Synonyms GDC-0879
Max Phase 0
Trade Names
Molecular Formula C19H18N4O2

Additional synonyms for CHEMBL525191 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCn1cc(c2ccc3\C(=N\O)\CCc3c2)c(n1)c4ccncc4
Standard InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6 ...
Download InChI
Standard InChI Key DEZZLWQELQORIU-RELWKKBWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL525191

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
334.4 334.143 2.73 4 83.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.14 3.37 3.7 3.7 3 25 0.57

Structural Alerts

There are 8 structural alerts for CHEMBL525191. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DEZZLWQELQORIU-RELWKKBWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL525191



ACToR 905281-76-7
BindingDB 50029085
ChEBI 83405
EPA CompTox Dashboard DTXSID00471110
Guide to Pharmacology 5681
LINCS LSM-42801
MolPort MolPort-009-684-777
Nikkaji J2.944.877I
PDBe 29L
PubChem 11717001
PubChem: Thomson Pharma 16822009
Selleck GDC-0879
SureChEMBL SCHEMBL2467603
ZINC ZINC000100015335

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