ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL228792
CHEMBL228792
Compound Name KINETIN
ChEMBL Synonyms Kinetin
Max Phase 0
Trade Names
Molecular Formula C10H9N5O

Additional synonyms for CHEMBL228792 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Nc1ncnc2nc[nH]c12)c3occc3
Standard InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-1 ...
Download InChI
Standard InChI Key QANMHLXAZMSUEX-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL228792

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
215.2 215.0807 1.56 3 79.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.04 3.08 1.31 1.31 3 16 0.69

Structural Alerts

There are no structural alerts for CHEMBL228792

Compound Cross References

ChemSpider ChemSpider:QANMHLXAZMSUEX-UHFFFAOYSA-N
PubChem SID: 11112392 SID: 124882318 SID: 144211531 SID: 26753705 SID: 7969961

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL228792



ACToR 33446-70-7 956-31-0 9001-54-1 6046-79-3
Atlas kinetin
BindingDB 39302 181147
Brenda 3475 30265 96037
ChEBI 27407
ChemicalBook CB0758226
DrugBank DB11336
DrugCentral 3976
eMolecules 1935891 513831 27678252
EPA CompTox Dashboard DTXSID9035175
FDA SRS P39Y9652YJ
Human Metabolome Database HMDB0012245
IBM Patent System F64490B0ABCE754C9827DD0A5C559CBD FB4490D996A6226BAA2448C942C19081
KEGG Ligand C08272
LINCS LSM-5740
Mcule MCULE-2915862970
MolPort MolPort-023-220-131 MolPort-006-111-624 MolPort-000-384-326 MolPort-003-848-335
Nikkaji J6.656G
PDBe H35
PubChem 3830
PubChem: Drugs of the Future 99431549
PubChem: Thomson Pharma 14818865 15195825
Selleck Kinetin(6-Furfuryladenine)
SureChEMBL SCHEMBL15705
ZINC ZINC000000001601

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