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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL183460
CHEMBL183460
Compound Name
ChEMBL Synonyms SB-649915
Max Phase 0
Trade Names
Molecular Formula C26H29N3O3

Additional synonyms for CHEMBL183460 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2c(OCCN3CCC(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1
Standard InChI InChI=1S/C26H29N3O3/c1-18-5-7-21-22(27-18)3-2-4-24(21)31-14- ...
Download InChI
Standard InChI Key PJSUYRBCBFPCQW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL183460

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
431.5 431.2209 3.87 6 63.69 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
12.72 8.41 4.38 3.32 3 32 0.64

Structural Alerts

There are no structural alerts for CHEMBL183460

Compound Cross References

ChemSpider ChemSpider:PJSUYRBCBFPCQW-UHFFFAOYSA-N
Wikipedia SB-649,915

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL183460



BindingDB 50412114
Guide to Pharmacology 76
IBM Patent System 6854580F1141CE15FB59EE767A2BF697
PubChem 10296414
PubChem: Thomson Pharma 15303108
SureChEMBL SCHEMBL5364247
ZINC ZINC000006717045

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