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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL165084
CHEMBL165084
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H19NO9

Additional synonyms for CHEMBL165084 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C( ...
Download SMILES
Standard InChI InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7 ...
Download InChI
Standard InChI Key SQVRNKJHWKZAKO-PFQGKNLYSA-N

Structural Alerts

There are no structural alerts for CHEMBL165084

Alternate Forms of Compound in ChEMBL


CHEMBL165084

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
309.3 309.106 -3.36 5 176.78 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 7 1 10 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.31 - -1.9 -5.63 0 21 0.27

Compound Cross References

ChemSpider ChemSpider:SQVRNKJHWKZAKO-PFQGKNLYSA-N
PubChem SID: 93576699
Wikipedia Neuraminic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL165084



ACToR 1904-24-1 126934-33-6
BindinDB 50063302
ChEBI 45744
eMolecules 30152347 713382 29543565
FDA SRS TIP79W5HPN
Human Metabolome Database HMDB00230
IBM Patent System 35D3A3D72D9FF73A1AB79DAE0A9CCE10
IBM Patents US20040180850 EP1868448A2 US5679321 US20090136591 WO2006056604A1 EP2017287A2 US20020137694 WO2002000856A2 WO1998031696A2 US6680300 US7329514 US20040170706 US20080199399 EP0599908A1 WO2008011168A2 US4071408 WO2002008287A2 EP0430968B1 US7176021 US20070166266 EP1811865B1 US6936436 US20070099823 EP1957089A2 US20050265988 US20100273991 EP0549617A1 US20050142643 EP2123282A2 EP1765312A2 EP0494178B1 US20080102083 US20100016555 EP1100518A1 WO2007028106A2 WO2009036754A1 US5939403 EP1549322B1 WO2008011633A2 US20100190836 EP0401362A1 US5916571 US20020177553 US20100093659 EP0765476B1 US20020184655 US20020025560 EP0251298A2 EP2251034A1 EP1332759B1 EP1601761A1 US20050131222 US6855544 US5866132 WO2005030981A2 US7417031 US6399577 US20020134718 US20050106605 US20080254020 WO2009127826A1 EP1531832B1 WO2003101425A2 US6812332 US6074643 EP1231905B1 WO2006085838A1 EP1597380A2 US20080009037 US20060014717 US20090105455 US20090043077 US20030157108 EP1887064A1 US20090266467 US5583020 EP2009037A2 WO2002081731A2 US5837690 US6168934 WO2005033657A2 WO2006014725A1 EP1644392B1 US20090269734 WO2006044790A2 US4471130 EP1905801A1 WO1993012223A1 EP1728515A1 WO1997038010A2 EP0964690B1 US20100196940 US20100105106 WO2009006591A1 WO2006084327A1 EP0750671A1 EP0698114B1 US5725804 EP2267135A2 US20100056612
MolPort MolPort-004-956-456
Nikkaji J566.854I
PDBe SLB
PubChem 445063
PubChem: Drugs of the Future 136349998
PubChem: Thomson Pharma 14776496
SureChEMBL SCHEMBL22412

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