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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284377
CHEMBL284377
Compound Name DEXFOSFOSERINE
ChEMBL Synonyms GNF-Pf-1028 | Dexfosfoserine
Max Phase 0
Trade Names
Molecular Formula C3H8NO6P

Additional synonyms for CHEMBL284377 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](COP(=O)(O)O)C(=O)O
Standard InChI InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6) ...
Download InChI
Standard InChI Key BZQFBWGGLXLEPQ-REOHCLBHSA-N

Sources

  • Novartis Malaria Screening
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL284377

Molecule Features

CHEMBL284377 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov DEXFOSFOSERINE
The Cochrane Collaboration DEXFOSFOSERINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL284377. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 1.000
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 1.000
CHEMBL2787 Metabotropic glutamate receptor 4 Rattus norvegicus 0.999
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.996
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.995
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.995
CHEMBL2288 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens 0.994
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.990
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.981
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 0.974
CHEMBL1907 Aminopeptidase N Homo sapiens 0.967
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.912
CHEMBL2590 Aminopeptidase N Sus scrofa 0.907
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.888
CHEMBL5689 Tryptophan 5-hydroxylase 1 Homo sapiens 0.789
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.784
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 0.531
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 0.424



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2787 Metabotropic glutamate receptor 4 Rattus norvegicus 1.000
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.999
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 0.998
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.996
CHEMBL2288 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens 0.996
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.995
CHEMBL4333 Sphingosine 1-phosphate receptor Edg-1 Homo sapiens 0.993
CHEMBL5043 Endoplasmic reticulum aminopeptidase 2 Homo sapiens 0.993
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 0.992
CHEMBL1907 Aminopeptidase N Homo sapiens 0.985
CHEMBL1892 Glutamate carboxypeptidase II Homo sapiens 0.983
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 0.981
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 0.976
CHEMBL3744 Glutamate receptor ionotropic kainate 3 Rattus norvegicus 0.965
CHEMBL2721 Excitatory amino acid transporter 3 Homo sapiens 0.937
CHEMBL3965 Leucine aminopeptidase Homo sapiens 0.926

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
185.1 185.0089 -1.49 4 130.08 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.71 11.8 -3.26 -7.7 0 11 0.39

Structural Alerts

There are 7 structural alerts for CHEMBL284377. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BZQFBWGGLXLEPQ-REOHCLBHSA-N
PubChem SID: 11113423 SID: 144205603 SID: 170466581 SID: 26751660 SID: 50104360 SID: 50104361 SID: 90341677
Wikipedia Phosphoserine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284377



ACToR 407-41-0 68762-59-4
BindingDB 17664
Brenda 69436 47300 8160 113733 91544 100780 19742 30850 97368 133508 130033 44708 1189 2994 127904 9243
ChEBI 15811
DrugBank DB04522
DrugCentral 4120
eMolecules 29542138
EPA CompTox Dashboard DTXSID1046348
FDA SRS VI4F0K069V
Guide to Pharmacology 1411
Human Metabolome Database HMDB0000272
IBM Patent System D02E620F30A1314192D64CB834E42211
KEGG Ligand C01005
Metabolights MTBLC15811
MolPort MolPort-003-939-112
Nikkaji J136.545B
PDBe SEP
PubChem 57689797 68841
PubChem: Thomson Pharma 15340053
SureChEMBL SCHEMBL6846
ZINC ZINC000003869280

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