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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1834247
CHEMBL1834247
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H33N5O5

Additional synonyms for CHEMBL1834247 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]2Cc3ccccc ...
Download SMILES
Standard InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(3 ...
Download InChI
Standard InChI Key NTLGBVODVYUHJV-XGRCMKMKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1834247

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
495.6 495.2482 -0.06 8 167.85 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 10 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.24 7.24 1.65 1.42 2 36 0.34

Structural Alerts

There are 2 structural alerts for CHEMBL1834247. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NTLGBVODVYUHJV-XGRCMKMKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1834247



BindingDB 50354650
PubChem 54757387
PubChem: Thomson Pharma 131484014
ZINC ZINC000072126185

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