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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203437
CHEMBL2203437
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H38N6O4

Additional synonyms for CHEMBL2203437 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)N1CCC(CC1)Oc2ccc(nc2)C(=O)Nc3ccc(NC(=O)Nc4cc(on4)C(C ...
Download SMILES
Standard InChI InChI=1S/C29H38N6O4/c1-28(2,3)24-17-25(34-39-24)33-27(37)32- ...
Download InChI
Standard InChI Key ULCJFJXVIGNWMX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203437

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
534.7 534.2955 5.91 6 121.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 2 10 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.91 9.65 3.64 1.45 3 39 0.36

Structural Alerts

There are no structural alerts for CHEMBL2203437

Compound Cross References

ChemSpider ChemSpider:ULCJFJXVIGNWMX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203437



BindingDB 50400606
PubChem 54759299
PubChem: Thomson Pharma 163513021
SureChEMBL SCHEMBL1698768
ZINC ZINC000095559914

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