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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL186113
CHEMBL186113
Compound Name
ChEMBL Synonyms GW-328267
Max Phase 0
Trade Names
Molecular Formula C21H26N10O4

Additional synonyms for CHEMBL186113 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCn1nnc(n1)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)nc(N[C@H] ...
Download SMILES
Standard InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)2 ...
Download InChI
Standard InChI Key FLBKPDIBGNWXMT-NIQZGXKPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL186113

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
482.5 482.2138 -0.58 8 195.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
14 5 1 14 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.47 4.29 .22 .22 4 35 0.21

Structural Alerts

There are 1 structural alerts for CHEMBL186113. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FLBKPDIBGNWXMT-NIQZGXKPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL186113



BindingDB 50150766
FDA SRS DJF621DE4F
IBM Patent System 4C59FA8D19C34DCAD96BC13EC0D76636
Nikkaji J2.047.755E
PubChem 9869857
PubChem: Thomson Pharma 16284335 14834850
SureChEMBL SCHEMBL1979140
ZINC ZINC000003951024

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