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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1963131
CHEMBL1963131
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H31F3N4O4

Additional synonyms for CHEMBL1963131 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cn1)[C@@]2(O)CC[C@H](CC2)N3CC[C@H](C3)NC(=O)CNC(=O)c ...
Download SMILES
Standard InChI InChI=1S/C26H31F3N4O4/c1-37-23-6-5-19(14-30-23)25(36)10-7-21 ...
Download InChI
Standard InChI Key NXZNYBUBXWWKCP-DNRQZRRGSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1963131

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
520.6 520.2297 2.86 7 103.79 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 8 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.94 8.94 2.89 1.45 2 37 0.52

Structural Alerts

There are 2 structural alerts for CHEMBL1963131. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NXZNYBUBXWWKCP-DNRQZRRGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1963131



BindingDB 50363953
FDA SRS 0W6K09GAQB
IBM Patent System EC0703A5553E7E1280759C20CA7EF57B
SureChEMBL SCHEMBL5058151
ZINC ZINC000100765881

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