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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL434023
CHEMBL434023
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C41H56N12O8

Additional synonyms for CHEMBL434023 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccc(NC(=O)c2 ...
Download SMILES
Standard InChI InChI=1S/C41H56N12O8/c1-3-23(2)34(39(61)52-31(22-33(55)56)38 ...
Download InChI
Standard InChI Key ATQZLXCPGRCBSZ-RZKYVOMISA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL434023

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
845 844.4344 -0.31 24 354.69 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 11 2 20 16 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.19 13.35 1.6 -1.9 3 61 0.03

Structural Alerts

There are 5 structural alerts for CHEMBL434023. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ATQZLXCPGRCBSZ-RZKYVOMISA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL434023



BindingDB 50091760
PubChem 44301746
ZINC ZINC000095542993

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