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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL34857
CHEMBL34857
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H31N5O7

Additional synonyms for CHEMBL34857 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ...
Download SMILES
Standard InChI InChI=1S/C29H31N5O7/c1-5-14-34(16-18-6-11-22-21(15-18)26(38) ...
Download InChI
Standard InChI Key YUAIKFXOTPNSNN-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL34857

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
561.6 561.2223 2.23 12 182.05 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 1 12 5 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-3.19 10.42 .69 -3.81 3 41 0.21

Structural Alerts

There are 5 structural alerts for CHEMBL34857. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YUAIKFXOTPNSNN-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL34857



BindingDB 50408124
PubChem 44284628
ZINC ZINC000029252071

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