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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL146972
CHEMBL146972
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H8NO4P

Additional synonyms for CHEMBL146972 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCOP(=O)(O)O
Standard InChI InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
Standard InChI Key SUHOOTKUPISOBE-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL146972

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
141.1 141.0191 -1.26 3 102.59 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.52 10.65 -3.26 -6.72 0 8 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL146972. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SUHOOTKUPISOBE-UHFFFAOYSA-N
Wikipedia Phosphorylethanolamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL146972



ACToR 1071-23-4
BindingDB 50281572
ChEBI 17553
eMolecules 493992
EPA CompTox Dashboard DTXSID5061453
FDA SRS 78A2BX7AEU
Human Metabolome Database HMDB00224
IBM Patent System D43F03E887B90B95D476CFE64AFD711E
KEGG Ligand C00346
Mcule MCULE-8775715246
MolPort MolPort-001-793-016
Nikkaji J12.176B
NMRShiftDB 20200027
PDBe OPE
PubChem 5232324 1015
PubChem: Thomson Pharma 15066281
SureChEMBL SCHEMBL44347

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