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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1172736
CHEMBL1172736
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H37N7O3

Additional synonyms for CHEMBL1172736 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCNC(=N)N
Standard InChI InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)2 ...
Download InChI
Standard InChI Key IDINUJSAMVOPCM-INIZCTEOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1172736

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
387.5 387.2958 -1.37 18 178.38 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 8 1 10 10 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.59 13.59 -.93 -5.84 0 27 0.06

Structural Alerts

There are 12 structural alerts for CHEMBL1172736. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IDINUJSAMVOPCM-INIZCTEOSA-N
Wikipedia Gusperimus

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1172736



Brenda 21360
DrugBank DB12991
EPA CompTox Dashboard DTXSID70237548
FDA SRS 57F9XM233R
Nikkaji J209.343J
PubChem 91272
PubChem: Thomson Pharma 16834523
SureChEMBL SCHEMBL8656104
ZINC ZINC000004215557

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