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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3306578
CHEMBL3306578
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H46NO7P

Additional synonyms for CHEMBL3306578 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O) ...
Download SMILES
Standard InChI InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-1 ...
Download InChI
Standard InChI Key BIDNLKIUORFRQP-FKDWWROVSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3306578

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
563.7 563.3012 6.12 14 110.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.38 - 6.47 2.9 1 39 0.13

Structural Alerts

There are 7 structural alerts for CHEMBL3306578. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BIDNLKIUORFRQP-FKDWWROVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3306578



ACToR 98048-97-6
ChEBI 5163
ChemicalBook CB3151279
eMolecules 36552990
EPA CompTox Dashboard DTXSID1023079
Human Metabolome Database HMDB0014635
IBM Patent System DDAC14EE686A8F45D9D6A35ED9258FCF
LINCS LSM-6485
PharmGKB PA449710
PubChem 55891
PubChem: Thomson Pharma 14837610
SureChEMBL SCHEMBL15626

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