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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL188
CHEMBL188
Compound Name WIN-552122
ChEMBL Synonyms WIN-55212-2
Max Phase 0
Trade Names
Molecular Formula C27H26N2O3

Additional synonyms for CHEMBL188 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(C(=O)c2cccc3ccccc23)c4cccc5OC[C@@H](CN6CCOCC6)n1c45
Standard InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19 ...
Download InChI
Standard InChI Key HQVHOQAKMCMIIM-HXUWFJFHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL188

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
426.5 426.1943 4.44 4 43.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.66 5.13 5.05 4 32 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL188. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HQVHOQAKMCMIIM-HXUWFJFHSA-N
PubChem SID: 124881900 SID: 26754855 SID: 26754856 SID: 50110805 SID: 50110806 SID: 90341664
Wikipedia WIN_55,212-2

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL188



BindingDB 21281
Brenda 160291
ChEBI 73295
FDA SRS 5H31GI9502
Guide to Pharmacology 733
IBM Patent System CBA8B5A046D4E8DEE1A24D15962D1D26
LINCS LSM-15494
Nikkaji J442.901J
PubChem 5311501
PubChem: Drugs of the Future 12014569
PubChem: Thomson Pharma 14782868 14929727
SureChEMBL SCHEMBL118531
ZINC ZINC000025783468

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