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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL359171
CHEMBL359171
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H29N5O4

Additional synonyms for CHEMBL359171 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(cc2C(=O)Nc3ccc(cc3)C(=O)N4CCCC4)C(=O)NCc5cc ...
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Standard InChI InChI=1S/C30H29N5O4/c1-39-25-15-13-24(14-16-25)35-27(19-26(3 ...
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Standard InChI Key MIHRRKGTTWUDIL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL359171

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
523.6 523.222 4.3 8 105.56 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.62 - 4.56 4.56 4 39 0.36

Structural Alerts

There are no structural alerts for CHEMBL359171

Compound Cross References

ChemSpider ChemSpider:MIHRRKGTTWUDIL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL359171



BindingDB 50119490
Brenda 23012
Nikkaji J1.402.905B
PubChem 10029745
PubChem: Thomson Pharma 15011347
ZINC ZINC000013491653

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