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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL386389
CHEMBL386389
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C62H111N11O12

Additional synonyms for CHEMBL386389 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C ...
Download SMILES
Standard InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-4 ...
Download InChI
Standard InChI Key PMATZTZNYRCHOR-IMVLJIQESA-N

Sources

  • BindingDB Database
  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL386389

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
1202.6 1201.8414 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL386389

Compound Cross References

ChemSpider ChemSpider:PMATZTZNYRCHOR-IMVLJIQESA-N
PubChem SID: 124891621 SID: 26747463 SID: 26747464 SID: 26753534 SID: 50105983 SID: 50105984 SID: 50105985 SID: 50105986 SID: 571811 SID: 90340937

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL386389



Atlas cyclosporin A
BindingDB 172718
eMolecules 742499
KEGG Ligand C05086
LINCS LSM-42829
LipidMaps LMPK14000003
MolPort MolPort-000-760-988
PubChem 5280754
PubChem: Thomson Pharma 14914941
SureChEMBL SCHEMBL3490

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