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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL415306
CHEMBL415306
Compound Name
ChEMBL Synonyms 2,6-Diamino-Heptanedioic Acid
Max Phase 0
Trade Names
Molecular Formula C7H14N2O4

Additional synonyms for CHEMBL415306 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@H](CCC[C@H](N)C(=O)O)C(=O)O
Standard InChI InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3, ...
Download InChI
Standard InChI Key GMKMEZVLHJARHF-SYDPRGILSA-N

Structural Alerts

There are 3 structural alerts for CHEMBL415306. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL415306

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
190.2 190.0954 -6.1 6 126.64 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.2 10.13 -1.35 -3.85 0 13 0.33

Compound Cross References

ChemSpider ChemSpider:GMKMEZVLHJARHF-SYDPRGILSA-N
Wikipedia Diaminopimelic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL415306



ChEBI 57791 16488
eMolecules 32231623
Guide to Pharmacology 5021
IBM Patent System 952A108080D27E4CDDB13B742227779E
KEGG Ligand C00680
MolPort MolPort-027-836-074
Nikkaji J407.120D
NMRShiftDB 20200021
PDBe API
PubChem 1549101 99290
PubChem: Thomson Pharma 15243902
SureChEMBL SCHEMBL29291 SCHEMBL16993385
ZINC ZINC01532722 ZINC12358990

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