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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL372148
CHEMBL372148
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28N4O4

Additional synonyms for CHEMBL372148 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(C)c2cc([nH]c2C1=O)c3ccc(OCC(=O)Nc4ccc(cc4)c5cccc ...
Download SMILES
Standard InChI InChI=1S/C30H28N4O4/c1-3-17-34-29(36)28-26(33(2)30(34)37)18- ...
Download InChI
Standard InChI Key FTVRDQDWDBZPQP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL372148

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
508.6 508.2111 4.79 8 98.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 8 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.1 1.24 6.05 6.05 5 38 0.31

Structural Alerts

There are no structural alerts for CHEMBL372148

Compound Cross References

ChemSpider ChemSpider:FTVRDQDWDBZPQP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL372148



BindingDB 50410691
IBM Patent System 7165979CCC4D5170245E179DEA5CC15C
PubChem 11649145
PubChem: Thomson Pharma 16752529
SureChEMBL SCHEMBL6502608
ZINC ZINC000013678816

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