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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL291536
CHEMBL291536
Compound Name
ChEMBL Synonyms SB-334867-A | SB-334867
Max Phase 0
Trade Names
Molecular Formula C17H13N5O2

Additional synonyms for CHEMBL291536 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1
Standard InChI InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(2 ...
Download InChI
Standard InChI Key AKMNUCBQGHFICM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL291536

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
319.3 319.1069 1.77 2 92.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.21 3.91 1.51 1.5 4 24 0.59

Structural Alerts

There are no structural alerts for CHEMBL291536

Compound Cross References

ChemSpider ChemSpider:AKMNUCBQGHFICM-UHFFFAOYSA-N
PubChem SID: 11114248
Wikipedia SB-334,867

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL291536



ACToR 249889-64-3 792173-99-0
BindingDB 50384416
ChEBI 92733
eMolecules 8318564
Guide to Pharmacology 1703
IBM Patent System 5C8032224B75D17488B19C350D71F186
LINCS LSM-2924
MolPort MolPort-003-983-831
Nikkaji J1.511.008B
PubChem 6604926
PubChem: Thomson Pharma 14776953
SureChEMBL SCHEMBL496853
ZINC ZINC000000008794

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