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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

Structural Alerts

There are no structural alerts for CHEMBL72275

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

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
ChEBI 26271
eMolecules 484372
IBM Patent System EDB5426DA46A621BEC630F3E2C77DCC7
KEGG Ligand C16435
Mcule MCULE-2229401513
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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