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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL29811
CHEMBL29811
Compound Name CGP-37849
ChEMBL Synonyms CGP-37849
Max Phase 0
Trade Names
Molecular Formula C6H12NO5P

Additional synonyms for CHEMBL29811 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C/C(N)C(=O)O)\CP(=O)(O)O
Standard InChI InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H ...
Download InChI
Standard InChI Key BDYHNCZIGYIOGJ-DUXPYHPUSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL29811

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
209.1 209.0453 -3.36 4 130.66 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.83 9.08 -1.08 -4.73 0 13 0.28

Structural Alerts

There are 5 structural alerts for CHEMBL29811. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BDYHNCZIGYIOGJ-DUXPYHPUSA-N
Wikipedia CGP-37849

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL29811



ACToR 127910-31-0 137424-81-8
eMolecules 27315364
Guide to Pharmacology 4154
MolPort MolPort-003-983-536
Nikkaji J2.376.673F
PubChem 5950212
PubChem: Thomson Pharma 15121141
SureChEMBL SCHEMBL1429152

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