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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL117394
CHEMBL117394
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H29N2O5P

Additional synonyms for CHEMBL117394 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](NC(=O)[C@@H](Cc1ccc(cc1)c2ccccc2)CP(=O)(O)[C@H](N)c3c ...
Download SMILES
Standard InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33) ...
Download InChI
Standard InChI Key NCJYNTULOJIUPY-NWVWQQAFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL117394

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
480.5 480.1814 4.03 10 129.72 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.96 8.17 3.38 -.22 3 34 0.32

Structural Alerts

There are 2 structural alerts for CHEMBL117394. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NCJYNTULOJIUPY-NWVWQQAFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL117394



BindingDB 50105263
PubChem 44344580 44344579
ZINC ZINC000027100594

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