ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2043168
CHEMBL2043168
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H30N6O5

Additional synonyms for CHEMBL2043168 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ncn1)N2C(=O)N(C(=O)C23CCN(Cc4ncccc4C)CC3)c5ccc(cc5)c6 ...
Download SMILES
Standard InChI InChI=1S/C32H30N6O5/c1-21-4-3-15-33-26(21)19-36-16-13-32(14- ...
Download InChI
Standard InChI Key UDDLGZQDALRQID-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2043168

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
578.6 578.2278 4.56 7 129.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 11 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.22 6.93 4.68 1.89 4 43 0.31

Structural Alerts

There are 1 structural alerts for CHEMBL2043168. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UDDLGZQDALRQID-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2043168



BindingDB 50385813
PubChem 49848895
PubChem: Thomson Pharma 104177181
SureChEMBL SCHEMBL2119741
ZINC ZINC000084709211

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