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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1922235
CHEMBL1922235
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H30N4O4

Additional synonyms for CHEMBL1922235 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)C(=O)Nc2cccc(O)c2NC(=O)c3ccc(cc3)N4CCCN(C)CC4
Standard InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-1 ...
Download InChI
Standard InChI Key IJNIQYINMSGIPS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1922235

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
474.6 474.2267 4.05 6 94.14 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.11 8.96 2.3 .78 3 35 0.47

Structural Alerts

There are 1 structural alerts for CHEMBL1922235. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IJNIQYINMSGIPS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1922235



BindingDB 50358252
Brenda 201677 159939 80845
DrugBank DB12289
FDA SRS KF322K101S
IBM Patent System 28322CC0E56BBEDA9CC569CA79A45343
Nikkaji J2.437.544G
PubChem 9912771
PubChem: Thomson Pharma 14883178
SureChEMBL SCHEMBL2227024
ZINC ZINC000070647134

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