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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL445236
CHEMBL445236
Compound Name ARGADIN
ChEMBL Synonyms Argadin
Max Phase 0
Trade Names
Molecular Formula C29H42N10O9

Additional synonyms for CHEMBL445236 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](Cc2 ...
Download SMILES
Standard InChI InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38- ...
Download InChI
Standard InChI Key FOZYKTUSOWWQGR-KNPYFFGGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL445236

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
674.7 674.3136 -3.31 12 279.11 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 9 3 19 9 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.71 8.25 -.58 -3.22 1 48 0.06

Structural Alerts

There are 7 structural alerts for CHEMBL445236. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FOZYKTUSOWWQGR-KNPYFFGGSA-N
Wikipedia Argadin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL445236



ACToR 289665-92-5
BindingDB 10854
Brenda 70798
DrugBank DB04350
EPA CompTox Dashboard DTXSID40332296
IBM Patent System 28E29A5A6AE97BC50EE65997F90B5541
PubChem 449123
PubChem: Thomson Pharma 21963110
SureChEMBL SCHEMBL141316
ZINC ZINC000024693311

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