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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11298
CHEMBL11298
Compound Name SERINE
ChEMBL Synonyms SERINE
Max Phase 3
Trade Names
Molecular Formula C3H7NO3

Additional synonyms for CHEMBL11298 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CO)C(=O)O
Standard InChI InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s ...
Download InChI
Standard InChI Key MTCFGRXMJLQNBG-REOHCLBHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL11298

Molecule Features

CHEMBL11298 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
STRESS DISORDERS, POST-TRAUMATICD013313EFO:0001358POST-TRAUMATIC STRESS DISORDER2ClinicalTrials
NON-ALCOHOLIC FATTY LIVER DISEASED065626EFO:0003095NON-ALCOHOLIC FATTY LIVER DISEASE1ClinicalTrials
AMYOTROPHIC LATERAL SCLEROSISD000690EFO:0000253AMYOTROPHIC LATERAL SCLEROSIS1ClinicalTrials
PANCREATIC NEOPLASMSD010190EFO:0002618PANCREATIC CARCINOMA2ClinicalTrials

Clinical Data

ClinicalTrials.gov SERINE
The Cochrane Collaboration SERINE

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
105.1 105.0426 -4.05 2 83.55 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.16 9.1 -1.49 -3.99 0 7 0.33

Structural Alerts

There are 1 structural alerts for CHEMBL11298. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MTCFGRXMJLQNBG-REOHCLBHSA-N
PubChem SID: 11111802 SID: 11113417 SID: 11113418
Wikipedia Serine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11298



ACToR 25821-52-7
BindingDB 50357212
Brenda 145952 145040 95 870 930 35658 262
ChEBI 33384 17115
DrugBank DB00133
DrugCentral 4127
eMolecules 514205
FDA SRS 452VLY9402
Guide to Pharmacology 726
Human Metabolome Database HMDB0000187
IBM Patent System 18FFE5233D756AC794BFDAD4E7AC86D9
KEGG Ligand C00065
Mcule MCULE-6118038121 MCULE-5604658333
Metabolights MTBLC33384 MTBLC17115
Nikkaji J1.195I
PDBe SER
PharmGKB PA451330
PubChem 6857581 5951
PubChem: Thomson Pharma 15119722 16532479
Recon ser_L
Rhea 33384
SureChEMBL SCHEMBL1775
ZINC ZINC000000895034

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