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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2206278
CHEMBL2206278
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H42N6O4

Additional synonyms for CHEMBL2206278 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C(C)(C)CC(CC1(C)C)Oc2ccc(nc2)C(=O)Nc3ccc(NC(=O)Nc4cc(on4 ...
Download SMILES
Standard InChI InChI=1S/C31H42N6O4/c1-9-37-30(5,6)17-23(18-31(37,7)8)40-22- ...
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Standard InChI Key JVCWPUFNLFSKFS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2206278

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
562.7 562.3268 6.68 7 121.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 10 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.91 10.01 4.71 2.22 3 41 0.29

Structural Alerts

There are no structural alerts for CHEMBL2206278

Compound Cross References

ChemSpider ChemSpider:JVCWPUFNLFSKFS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2206278



BindingDB 50400602
ChemicalBook CB42668596
Guide to Pharmacology 8095
MolPort MolPort-039-052-187
PubChem 54760053
PubChem: Thomson Pharma 163492168
SureChEMBL SCHEMBL1698753
ZINC ZINC000095559390

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