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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3672457
CHEMBL3672457
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H25N7O4

Additional synonyms for CHEMBL3672457 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)c1ccc(cn1)c2cc3c(N[C@@H]4CN(C[C@@H]4C)C(=O)OC)c(cnn3c ...
Download SMILES
Standard InChI InChI=1S/C22H25N7O4/c1-12-9-28(22(32)33-3)11-17(12)27-19-15( ...
Download InChI
Standard InChI Key NUODDWRPDKRBFT-YVEFUNNKSA-N

Sources

  • BindingDB Database

Alternate Forms of Compound in ChEMBL


CHEMBL3672457

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
451.5 451.1968 1.35 5 143.95 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 11 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.62 4.38 .9 .9 3 33 0.53

Structural Alerts

There are 1 structural alerts for CHEMBL3672457. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NUODDWRPDKRBFT-YVEFUNNKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3672457



BindingDB 151067
PubChem 91937375
SureChEMBL SCHEMBL16459088
ZINC ZINC000261145740

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