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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2169919
CHEMBL2169919
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H41N7O4

Additional synonyms for CHEMBL2169919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]2O[C@H]([C@H](O)[C ...
Download SMILES
Standard InChI InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18 ...
Download InChI
Standard InChI Key WXRGFPHDRFQODR-ICLZECGLSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2169919

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
539.7 539.322 2.85 9 150.79 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 1 11 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.51 8.83 3.97 2.52 3 39 0.26

Structural Alerts

There are 3 structural alerts for CHEMBL2169919. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WXRGFPHDRFQODR-ICLZECGLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2169919



BindingDB 50396023
ChEBI 124920
EPA CompTox Dashboard DTXSID30719178
Guide to Pharmacology 7377
LINCS LSM-36364
MolPort MolPort-028-720-500
Nikkaji J3.236.257E
PDBe 0QK
PubChem 56962336
Selleck epz004777
SureChEMBL SCHEMBL9274416
ZINC ZINC000089469833

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