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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284104
CHEMBL284104
Compound Name DIPICOLINIC ACID
ChEMBL Synonyms Sodium Dipicolinate | Dipicolinic Acid
Max Phase 0
Trade Names
Molecular Formula C7H5NO4

Additional synonyms for CHEMBL284104 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cccc(n1)C(=O)O
Standard InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10 ...
Download InChI
Standard InChI Key WJJMNDUMQPNECX-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL284104

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
167.1 167.0219 0.8 2 87.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.57 4.31 3.11 1 12 0.68

Structural Alerts

There are 1 structural alerts for CHEMBL284104. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WJJMNDUMQPNECX-UHFFFAOYSA-N
PubChem SID: 144211446 SID: 863941
Wikipedia Dipicolinic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284104



ACToR 499-83-2
BindingDB 26116
ChEBI 46837
DrugBank DB04267
eMolecules 475045
EPA CompTox Dashboard DTXSID7022043
FDA SRS UE81S5CQ0G
Human Metabolome Database HMDB33161
IBM Patent System 74532AA72A309CC6A53F3AF08F057514
Mcule MCULE-1484050836
MolPort MolPort-000-139-916
Nikkaji J6.184K
NMRShiftDB 20031196
PDBe PDC
PubChem 10367
PubChem: Thomson Pharma 15141025
SureChEMBL SCHEMBL34595

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