ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15928
CHEMBL15928
Compound Name GR-127935
ChEMBL Synonyms GR-127935
Max Phase 0
Trade Names
Molecular Formula C29H31N5O3

Additional synonyms for CHEMBL15928 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(NC(=O)c2ccc(cc2)c3ccc(cc3C)c4noc(C)n4)cc1N5CCN(C)CC5
Standard InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25( ...
Download InChI
Standard InChI Key YDBCEBYHYKAFRX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15928

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
497.6 497.2427 4.37 6 83.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.55 7.76 3.69 3.29 4 37 0.43

Structural Alerts

There are no structural alerts for CHEMBL15928

Compound Cross References

ChemSpider ChemSpider:YDBCEBYHYKAFRX-UHFFFAOYSA-N
PubChem SID: 11111230 SID: 11114099 SID: 124880216 SID: 124880218 SID: 50104861 SID: 90340955
Wikipedia GR-127,935

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15928



ACToR 148672-13-3
BindingDB 79215
ChEBI 64114
eMolecules 36366873
EPA CompTox Dashboard DTXSID90164044
FDA SRS 2LLH6CEB40
Guide to Pharmacology 14
IBM Patent System 34F60816E9EAC3C4E0F7A872D6268EC0
LINCS LSM-2243
MolPort MolPort-003-941-511
Nikkaji J607.522C
PubChem 107780
PubChem: Thomson Pharma 14908719
SureChEMBL SCHEMBL7795263
ZINC ZINC000000598509

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