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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1819176
CHEMBL1819176
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C36H37ClN4

Additional synonyms for CHEMBL1819176 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc2c(NCCCCCCCNc3c4Cc5ccccc5c4nc6ccccc36)c7CCCCc7nc2c1
Standard InChI InChI=1S/C36H37ClN4/c37-25-18-19-29-33(23-25)40-31-16-8-6-14 ...
Download InChI
Standard InChI Key ASEDWXNMPGNYLM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1819176

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
561.2 560.2707 9.36 10 49.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 4 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.04 8.82 8.19 5 41 0.16

Structural Alerts

There are 6 structural alerts for CHEMBL1819176. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ASEDWXNMPGNYLM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1819176



BindingDB 50351015
PubChem 54577394
PubChem: Thomson Pharma 129981958
ZINC ZINC000072113149

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