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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL358203
CHEMBL358203
Compound Name
ChEMBL Synonyms MDL-27088
Max Phase 0
Trade Names
Molecular Formula C25H28N2O5

Additional synonyms for CHEMBL358203 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(CCc1ccccc1)NC2Cc3ccccc3[C@H]4CCC[C@H](N4C2=O)C(=O)O
Standard InChI InChI=1S/C25H28N2O5/c28-23-20(26-19(24(29)30)14-13-16-7-2-1- ...
Download InChI
Standard InChI Key MFPBDCIKVMSRDU-XABBQPORSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL358203

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
436.5 436.1998 2.79 7 106.94 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.13 8.04 6.43 2.52 2 32 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL358203. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MFPBDCIKVMSRDU-XABBQPORSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL358203



BindingDB 50011270
PubChem 44365739

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