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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1673046
CHEMBL1673046
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H30N6O3

Additional synonyms for CHEMBL1673046 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)N5CCC(O)CC5
Standard InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32 ...
Download InChI
Standard InChI Key QAPAJIZPZGWAND-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1673046

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
474.6 474.2379 3.51 5 94.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.65 2.99 2.86 3 35 0.58

Structural Alerts

There are no structural alerts for CHEMBL1673046

Compound Cross References

ChemSpider ChemSpider:QAPAJIZPZGWAND-UHFFFAOYSA-N
PubChem SID: 121284523 SID: 137275886

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1673046



BindingDB 50337134
ChEBI 60325
eMolecules 36500893
EPA CompTox Dashboard DTXSID10676750
Guide to Pharmacology 8057
LINCS LSM-1094
MolPort MolPort-023-219-181
PDBe 4WG
PubChem 46843772
PubChem: Thomson Pharma 99230551
SureChEMBL SCHEMBL619295
ZINC ZINC000064633932

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