ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2419600
CHEMBL2419600
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H34N6O2

Additional synonyms for CHEMBL2419600 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCNc1ccc2ccc(cc2n1)C(=O)N3CCC4(CC3)Cc5cn(nc5C(=O)N4)C(C)(C) ...
Download SMILES
Standard InChI InChI=1S/C27H34N6O2/c1-5-12-28-22-9-8-18-6-7-19(15-21(18)29- ...
Download InChI
Standard InChI Key AXAMDFHPDDXWOH-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2419600

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
474.6 474.2743 3.97 4 92.15 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
13.8 4 4.56 4.56 3 35 0.6

Structural Alerts

There are no structural alerts for CHEMBL2419600

Compound Cross References

ChemSpider ChemSpider:AXAMDFHPDDXWOH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2419600



BindingDB 50439646
Nikkaji J3.341.140E
PubChem 73292728
ZINC ZINC000096283399

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