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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1079460
CHEMBL1079460
Compound Name
ChEMBL Synonyms LY-367265
Max Phase 0
Trade Names
Molecular Formula C24H25FN4O2S

Additional synonyms for CHEMBL1079460 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc2c(c[nH]c2c1)C3=CCN(CCN4c5cccc6CCCN(c56)S4(=O)=O)CC3
Standard InChI InChI=1S/C24H25FN4O2S/c25-19-6-7-20-21(16-26-22(20)15-19)17- ...
Download InChI
Standard InChI Key BJIPVHLRWSDKOS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1079460

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
452.6 452.1682 3.91 4 59.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.5 4.12 3.69 3 32 0.65

Structural Alerts

There are no structural alerts for CHEMBL1079460

Compound Cross References

ChemSpider ChemSpider:BJIPVHLRWSDKOS-UHFFFAOYSA-N
PubChem SID: 11111372 SID: 50106459 SID: 50106460 SID: 56463259 SID: 85231110 SID: 90341170

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1079460



BindingDB 50313283
eMolecules 561345
Nikkaji J1.436.571K
PubChem 4605800
PubChem: Thomson Pharma 14906610
SureChEMBL SCHEMBL7793847
ZINC ZINC000052569996

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