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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1236068
CHEMBL1236068
Compound Name STREPTOLYDIGIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H44N2O9

Additional synonyms for CHEMBL1236068 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@@H](C)[C@@H]1N([C@@H]2CC[C@H](O)[C@H](C)O2)C(=O)\C ...
Download SMILES
Standard InChI InChI=1S/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40- ...
Download InChI
Standard InChI Key KVTPRMVXYZKLIG-NCAOFHFGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1236068

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
600.7 600.3047 2.46 7 147.16 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.5 - 3.51 .71 0 43 0.1

Structural Alerts

There are 17 structural alerts for CHEMBL1236068. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KVTPRMVXYZKLIG-NCAOFHFGSA-N
Wikipedia Streptolydigin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1236068



ChEBI 45773
DrugBank DB04785
FDA SRS 6MON4029Q8
Metabolights MTBLC45773
Nikkaji J37.255B
PDBe STD
PubChem 54708748
ZINC ZINC000169363256

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