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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL397209
CHEMBL397209
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12NO2P

Additional synonyms for CHEMBL397209 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CP(=O)(O)C1=CCNCC1
Standard InChI InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,( ...
Download InChI
Standard InChI Key MFUKVPOVVKKLRQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL397209

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
161.1 161.0606 -0.81 1 59.14 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
1.97 9.72 -.07 -2.57 0 10 0.5

Structural Alerts

There are 1 structural alerts for CHEMBL397209. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MFUKVPOVVKKLRQ-UHFFFAOYSA-N
PubChem SID: 11111850 SID: 26756636 SID: 50107214 SID: 85231243 SID: 90341207
Wikipedia (1,2,5,6-Tetrahydropyridin-4-yl)methylphosphinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL397209



BindingDB 50211642
eMolecules 29268098
FDA SRS TR7I0800L2
Guide to Pharmacology 4328
IBM Patent System 3FDA54DEB0E1708023251C584B894711
MolPort MolPort-003-959-683
Nikkaji J786.339J
PubChem 5520 5521
PubChem: Thomson Pharma 15146997
SureChEMBL SCHEMBL678239
ZINC ZINC000025720700

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