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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL370378
CHEMBL370378
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H19BrN4O4

Additional synonyms for CHEMBL370378 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)N(C)c2cc([nH]c2C1=O)c3ccc(OCC(=O)Nc4ccc(Br)cc4)cc3
Standard InChI InChI=1S/C22H19BrN4O4/c1-26-18-11-17(25-20(18)21(29)27(2)22( ...
Download InChI
Standard InChI Key AZGRESCKAVVMKU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL370378

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
483.3 482.059 3.01 5 98.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.45 - 3.97 3.97 4 31 0.46

Structural Alerts

There are 2 structural alerts for CHEMBL370378. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AZGRESCKAVVMKU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL370378



BindingDB 50410646
IBM Patent System 860C78A3FF64DAAD2DDE49BFA03B3284
PubChem 11684443
PubChem: Thomson Pharma 16788621
SureChEMBL SCHEMBL6505397
ZINC ZINC000013678773

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