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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL235907
CHEMBL235907
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H25F3N4O3

Additional synonyms for CHEMBL235907 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCCC5=O)C(F)(F ...
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Standard InChI InChI=1S/C26H25F3N4O3/c1-36-20-12-10-19(11-13-20)33-23-21(24 ...
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Standard InChI Key XQRZFLUPOAPZLV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL235907

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
498.5 498.1879 5.01 4 67.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 7 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .77 5.73 5.73 3 36 0.51

Structural Alerts

There are no structural alerts for CHEMBL235907

Compound Cross References

ChemSpider ChemSpider:XQRZFLUPOAPZLV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL235907



BindingDB 19021
IBM Patent System 59E7ACF6BFF503E1A2F99176178F1E22
PubChem 10300491
PubChem: Thomson Pharma 15307194
SureChEMBL SCHEMBL2001907
ZINC ZINC000014969515

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