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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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

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 #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
190.2 190.0954 -6.1 0 6 No Yes ZWITTERION


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

Compound Cross References

ChemSpider ChemSpider:GMKMEZVLHJARHF-SYDPRGILSA-N
Wikipedia Diaminopimelic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL415306



PDBe API
KEGG Ligand C00680
ChEBI 57791 16488
ZINC ZINC01532722 ZINC12358990
eMolecules 32231623
IBM Patent System 952A108080D27E4CDDB13B742227779E
Patent US4190495 US6077680 US4515891 US4624920 US5464517 US4013788 US5840483 WO1989003427A1 EP0608722A1 EP0316907A2 EP0316907B1 US4014992 EP0608722B1 US4868326 EP0246654B1 EP0844890A1 US4900815 EP1003458A2 EP0322082A1 WO1999059573A1 EP0246654A2 WO1998027819A1 US6030841 EP0297294B1 US4001395 US4154821 WO1999007325A1 WO1997006829A1 WO1995023226A1 WO2000063422A2
PubChem: Thomson Pharma 15243902
PubChem 1549101 99290
NMRShiftDB 20200021

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