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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL360788
CHEMBL360788
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H34N8O6

Additional synonyms for CHEMBL360788 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(N1C=CN=C(NCc2nonc2C)C1=O)C(=O)N[C@@H](CC(=O)O)C(=O)CNCN3 ...
Download SMILES
Standard InChI InChI=1S/C27H34N8O6/c1-3-22(35-11-9-29-25(27(35)40)30-13-21- ...
Download InChI
Standard InChI Key MDRQEFUKIMUQFX-AIBWNMTMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL360788

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
566.6 566.2601 0.63 14 184.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 4 2 14 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.08 7.25 1.49 -1.26 3 41 0.21

Structural Alerts

There are 5 structural alerts for CHEMBL360788. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MDRQEFUKIMUQFX-AIBWNMTMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL360788



BindingDB 50160954
PubChem 44389338

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