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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1774063
CHEMBL1774063
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26Cl2N4O2

Additional synonyms for CHEMBL1774063 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Standard InChI InChI=1S/C22H26Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27( ...
Download InChI
Standard InChI Key VULDVDPDFZYFND-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1774063

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
449.4 448.1433 4.25 7 57.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.79 7.62 3.03 2.83 2 30 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL1774063. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VULDVDPDFZYFND-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1774063



BindingDB 50343260
IBM Patent System 8909E43F47DA301A578DBD797BF6AF3B
PubChem 11213062
PubChem: Thomson Pharma 16295596
SureChEMBL SCHEMBL4789556
ZINC ZINC000071316084

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