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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273521
CHEMBL273521
Compound Name KYOTORPHIN
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H23N5O4

Additional synonyms for CHEMBL273521 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Standard InChI InChI=1S/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(1 ...
Download InChI
Standard InChI Key JXNRXNCCROJZFB-RYUDHWBXSA-N

Sources

  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL273521

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
337.4 337.175 -1.11 9 177.05 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 6 1 9 9 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.08 13.53 -.77 -3.68 1 24 0.19

Structural Alerts

There are 4 structural alerts for CHEMBL273521. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JXNRXNCCROJZFB-RYUDHWBXSA-N
Wikipedia Kyotorphin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273521



ACToR 70904-56-2
Brenda 115933 142174 31661 15828
ChEBI 17537
EPA CompTox Dashboard DTXSID40221136
FDA SRS 02N30CW3X0
Human Metabolome Database HMDB0005768
IBM Patent System 39132308285E9B2E8FECBA809EDEAD97
KEGG Ligand C02993
Nikkaji J19.925G
PubChem 123804
PubChem: Thomson Pharma 14871349
SureChEMBL SCHEMBL28292
ZINC ZINC000001529568

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