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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL435181
CHEMBL435181
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H61N11O7

Additional synonyms for CHEMBL435181 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@H](C)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O ...
Download SMILES
Standard InChI InChI=1S/C36H61N11O7/c1-5-12-22(3)21-43-31(51)25(15-10-17-41 ...
Download InChI
Standard InChI Key WNMJJSOJFSGNGI-GAXORZTASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL435181

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
760 759.4755 -0.65 26 311.6 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 10 2 18 14 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.19 13.36 2.69 -.81 1 54 0.03

Structural Alerts

There are 5 structural alerts for CHEMBL435181. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WNMJJSOJFSGNGI-GAXORZTASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL435181



BindingDB 50091755
PubChem 44301749
ZINC ZINC000095614745

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