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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

Structural Alerts

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

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

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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