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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074707
CHEMBL2074707
Compound Name
ChEMBL Synonyms BQ-485
Max Phase 0
Trade Names
Molecular Formula C35H44N6O5

Additional synonyms for CHEMBL2074707 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N ...
Download SMILES
Standard InChI InChI=1S/C35H44N6O5/c1-22(2)17-29(40-35(46)41-15-9-3-4-10-16 ...
Download InChI
Standard InChI Key ZBJNAHVLKNFOPP-GAGJGVLVSA-N

Sources

  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL2074707

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
628.8 628.3373 4.49 12 159.42 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 6 2 11 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.4 - 3.73 .17 4 46 0.14

Structural Alerts

There are 2 structural alerts for CHEMBL2074707. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZBJNAHVLKNFOPP-GAGJGVLVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074707



BindingDB 50390985
PubChem 123724

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