ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

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

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

Structural Alerts

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

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 SCHEMBL16993385 SCHEMBL29291
ZINC ZINC01532722 ZINC12358990

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