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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256686
CHEMBL1256686
Compound Name CALCIMYCIN
ChEMBL Synonyms Calcimycin
Max Phase 0
Trade Names
Molecular Formula C29H37N3O6

Additional synonyms for CHEMBL1256686 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c5cc ...
Download SMILES
Standard InChI InChI=1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18( ...
Download InChI
Standard InChI Key HIYAVKIYRIFSCZ-CYEMHPAKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1256686

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
523.6 523.2682 4.9 7 126.67 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 1 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.33 8.27 6.01 3.47 3 38 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL1256686. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HIYAVKIYRIFSCZ-CYEMHPAKSA-N
PubChem SID: 26732633 SID: 50104781 SID: 90341142
Wikipedia A23187

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256686



BindingDB 44170
ChEBI 107643
eMolecules 488554 36500348
FDA SRS 37H9VM9WZL
LINCS LSM-19005
MolPort MolPort-003-927-819
Nikkaji J22.635A
PubChem 11957499
PubChem: Thomson Pharma 85180130
SureChEMBL SCHEMBL17390959
ZINC ZINC000003995369

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