ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL373560
CHEMBL373560
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H24N10O

Additional synonyms for CHEMBL373560 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(nc2nc(nn12)c3occc3)N4CCN5C[C@@H](Cn6ccnc6)CC[C@H]5C4
Standard InChI InChI=1S/C20H24N10O/c21-18-24-19(25-20-23-17(26-30(18)20)16- ...
Download InChI
Standard InChI Key PJAYVTJZMSGLEZ-CABCVRRESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL373560

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
420.5 420.2135 1.16 4 119.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 1 1 11 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.08 2 1.7 4 31 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL373560. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PJAYVTJZMSGLEZ-CABCVRRESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL373560



BindingDB 50156605
PubChem 11154367
PubChem: Thomson Pharma 16233209
ZINC ZINC000013585860

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