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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL156
CHEMBL156
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H22N8O5

Additional synonyms for CHEMBL156 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O ...
Download SMILES
Standard InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20( ...
Download InChI
Standard InChI Key FBOZXECLQNJBKD-CYBMUJFWSA-N

Sources

  • PubChem BioAssays
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL156

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
454.5 454.1713 0.27 9 210.54 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 5 0 13 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.47 5.55 -.45 -5.1 3 33 0.29

Structural Alerts

There are 3 structural alerts for CHEMBL156. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBOZXECLQNJBKD-CYBMUJFWSA-N
PubChem SID: 11110764 SID: 11112148 SID: 11112149

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL156



BindingDB 50420238
Brenda 213857
eMolecules 719108
FDA SRS W12798130R
IBM Patent System 65915A262F0FA2B430FFA869959CB77C
Nikkaji J122.424G
PDBe 6UV
PubChem 72440
PubChem: Thomson Pharma 15103758
SureChEMBL SCHEMBL171251
ZINC ZINC000006920406

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