ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL285819
CHEMBL285819
Compound Name
ChEMBL Synonyms 2-Chloroadenosine
Max Phase 0
Trade Names
Molecular Formula C10H12ClN5O4

Additional synonyms for CHEMBL285819 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(Cl)nc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Standard InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6 ...
Download InChI
Standard InChI Key BIXYYZIIJIXVFW-UUOKFMHZSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL285819

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
301.7 301.0578 -1.33 2 139.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.05 1.25 -.77 -.77 2 20 0.5

Structural Alerts

There are 3 structural alerts for CHEMBL285819. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BIXYYZIIJIXVFW-UUOKFMHZSA-N
PubChem SID: 26751454 SID: 50103933 SID: 56463001 SID: 855580 SID: 90341035

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL285819



ACToR 103090-47-7
BindingDB 50009525
Brenda 37811 3964
ChEBI 125640
ChemicalBook CB5398979
eMolecules 490174
FDA SRS 7W7ZUG45G8
Guide to Pharmacology 372
IBM Patent System 683577BED0F4B8B528617FE509BDB436
LINCS LSM-37201
MolPort MolPort-002-054-521 MolPort-003-928-215
NIH Clinical Collection SAM001246886
Nikkaji J86.653I
NMRShiftDB 10023838
PubChem 8974
PubChem: Thomson Pharma 15271562
SureChEMBL SCHEMBL104094
ZINC ZINC000003875976

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