ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL140784
CHEMBL140784
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H5N5O2

Additional synonyms for CHEMBL140784 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(C(=O)O)c1nnn[nH]1
Standard InChI InChI=1S/C3H5N5O2/c4-1(3(9)10)2-5-7-8-6-2/h1H,4H2,(H,9,10)(H ...
Download InChI
Standard InChI Key UKBRUIZWQZHXFL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL140784

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
143.1 143.0443 -4.42 2 117.78 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.04 9.85 -.43 -3.93 1 10 0.38

Structural Alerts

There are 1 structural alerts for CHEMBL140784. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UKBRUIZWQZHXFL-UHFFFAOYSA-N
PubChem SID: 26751673
Wikipedia Tetrazolylglycine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL140784



ACToR 138199-51-6
ChEBI 35003
eMolecules 1934110
Guide to Pharmacology 4068
IBM Patent System 9ED8DC6ECF86A3F9AEBFA8E0956B8E68 89582CF219F063B19E440BD0D9E4B4D9
KEGG Ligand C13738
MolPort MolPort-023-275-877
Nikkaji J522.506J
PubChem 126383
PubChem: Thomson Pharma 14747786
SureChEMBL SCHEMBL10231795

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