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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL54922
CHEMBL54922
Compound Name PROLINE
ChEMBL Synonyms PROLINE | L-Proline | Pyrrolidine-2-Carboxylic Acid
Max Phase 0
Trade Names
Molecular Formula C5H9NO2

Additional synonyms for CHEMBL54922 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@@H]1CCCN1
Standard InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/ ...
Download InChI
Standard InChI Key ONIBWKKTOPOVIA-BYPYZUCNSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL54922

Molecule Features

CHEMBL54922 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 PROLINE
The Cochrane Collaboration PROLINE

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
115.1 115.0633 -0.18 1 49.33 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.35 11.11 -.06 -2.56 0 8 0.5

Structural Alerts

There are no structural alerts for CHEMBL54922

Compound Cross References

ChemSpider ChemSpider:ONIBWKKTOPOVIA-BYPYZUCNSA-N
PubChem SID: 4253464

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL54922



ACToR 37159-97-0 18875-45-1
Atlas L-proline
BindingDB 50000100
Brenda 1089 816 145039 145951 199526 1625 243 107122 107123
ChEBI 60039 17203
DrugBank DB00172
DrugCentral 4125
eMolecules 524642
EPA CompTox Dashboard DTXSID5044021
FDA SRS 9DLQ4CIU6V
Guide to Pharmacology 3314
Human Metabolome Database HMDB0000162
IBM Patent System EB61BF81BE503E067DCAD96E5A0F8F8A
KEGG Ligand C00148
Mcule MCULE-8415049837 MCULE-1020921088
Metabolights MTBLC17203 MTBLC60039
MolPort MolPort-001-757-108
Nikkaji J9.117K
PDBe PRO
PharmGKB PA451125
PubChem 145742 6971047
PubChem: Thomson Pharma 15146482 15194368
Recon pro_L
Rhea 60039
SureChEMBL SCHEMBL7792
ZINC ZINC000000895360

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