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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL72275
CHEMBL72275
Compound Name PROLINE
ChEMBL Synonyms Proline
Max Phase 0
Trade Names
Molecular Formula C5H9NO2

Additional synonyms for CHEMBL72275 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1CCCN1
Standard InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
Standard InChI Key ONIBWKKTOPOVIA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL72275

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 -2.84 1 49.33 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 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 0.39

Structural Alerts

There are no structural alerts for CHEMBL72275

Compound Cross References

ChemSpider ChemSpider:ONIBWKKTOPOVIA-UHFFFAOYSA-N
PubChem SID: 144203593 SID: 29217981 SID: 402060
Wikipedia Proline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL72275



ACToR 147-85-3 609-36-9 25191-13-3 344-25-2
BindingDB 50000105
Brenda 93284 7416
ChEBI 26271
eMolecules 484372
EPA CompTox Dashboard DTXSID9041104
IBM Patent System EDB5426DA46A621BEC630F3E2C77DCC7
KEGG Ligand C16435
Mcule MCULE-2229401513
Metabolights MTBLC26271
MolPort MolPort-000-517-627
Nikkaji J1.287D
NMRShiftDB 10009019
PubChem 25246272 614
PubChem: Thomson Pharma 15321227
SureChEMBL SCHEMBL2939

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