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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
DrugBank DB13950
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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