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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL61383
CHEMBL61383
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H59N9O8

Additional synonyms for CHEMBL61383 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC ...
Download SMILES
Standard InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-38(56)27(5)48-41(59)34(2 ...
Download InChI
Standard InChI Key FUVHGJXBAITLDM-BIUJTGHWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL61383

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
830 829.4487 2.33 23 276.3 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 9 2 17 11 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.2 13.35 4.4 1.9 3 60 0.04

Structural Alerts

There are 5 structural alerts for CHEMBL61383. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FUVHGJXBAITLDM-BIUJTGHWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL61383



BindingDB 50091752
PubChem 44301732
ZINC ZINC000095537859

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