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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL183
CHEMBL183
Compound Name 1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE [DPCPX]
ChEMBL Synonyms GNF-Pf-2224
Max Phase 0
Trade Names
Molecular Formula C16H24N4O2

Additional synonyms for CHEMBL183 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCC)c2nc([nH]c2C1=O)C3CCCC3
Standard InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22 ...
Download InChI
Standard InChI Key FFBDFADSZUINTG-UHFFFAOYSA-N

Sources

  • Novartis Malaria Screening
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL183

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
304.4 304.1899 3.37 5 69.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.04 2.5 3.59 3.58 1 22 0.91

Structural Alerts

There are no structural alerts for CHEMBL183

Compound Cross References

ChemSpider ChemSpider:FFBDFADSZUINTG-UHFFFAOYSA-N
PubChem SID: 11110874 SID: 11113351 SID: 50104134 SID: 56422903 SID: 85230944 SID: 855876 SID: 90341492
Wikipedia Dipropylcyclopentylxanthine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL183



ACToR 102146-07-6
BindingDB 21173
ChEBI 73282
DrugBank DB12946
eMolecules 535700 1934316
EPA CompTox Dashboard DTXSID50144706
FDA SRS 9PTP4FOI9E
Guide to Pharmacology 386
IBM Patent System 2BAA9ED2A4A01CA452BC47B18E6B729C
KEGG Ligand C13709
LINCS LSM-19971
MolPort MolPort-003-666-763 MolPort-003-846-099
Nikkaji J126.311K
PubChem 1329
PubChem: Drugs of the Future 12014525
PubChem: Thomson Pharma 14898584 14776308
SureChEMBL SCHEMBL382422
ZINC ZINC000003977757

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