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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279898
CHEMBL279898
Compound Name ENPROFYLLINE
ChEMBL Synonyms D 4028 | ENPROFYLLINE
Max Phase 0
Trade Names
Molecular Formula C8H10N4O2

Additional synonyms for CHEMBL279898 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)NC(=O)c2[nH]cnc12
Standard InChI InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4 ...
Download InChI
Standard InChI Key SIQPXVQCUCHWDI-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL279898

Molecule Features

CHEMBL279898 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ENPROFYLLINE
The Cochrane Collaboration ENPROFYLLINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL279898. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL255 Adenosine A2b receptor Homo sapiens 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 0.998
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.995
CHEMBL256 Adenosine A3 receptor Homo sapiens 0.952
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.841
CHEMBL5936 Toll-like receptor 7 Homo sapiens 0.806
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.671
CHEMBL2935 Purine nucleoside phosphorylase Bos taurus 0.498
CHEMBL3774295 Lysine-specific demethylase 5B Homo sapiens 0.402
CHEMBL5896 Lysine-specific demethylase 4A Homo sapiens 0.350
CHEMBL251 Adenosine A2a receptor Homo sapiens 0.320



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL2605 Adenosine A2a receptor Cavia porcellus 1.000
CHEMBL255 Adenosine A2b receptor Homo sapiens 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL4338 Purine nucleoside phosphorylase Homo sapiens 0.997
CHEMBL256 Adenosine A3 receptor Homo sapiens 0.988
CHEMBL1820 Thymidine kinase Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) 0.988
CHEMBL226 Adenosine A1 receptor Homo sapiens 0.944
CHEMBL251 Adenosine A2a receptor Homo sapiens 0.936
CHEMBL5896 Lysine-specific demethylase 4A Homo sapiens 0.927
CHEMBL1795127 Thymidine kinase Human herpesvirus 1 0.922
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 0.910
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 0.723
CHEMBL4567 Phosphodiesterase 5A Rattus norvegicus 0.627
CHEMBL5936 Toll-like receptor 7 Homo sapiens 0.548
CHEMBL2935 Purine nucleoside phosphorylase Bos taurus 0.540
CHEMBL3774295 Lysine-specific demethylase 5B Homo sapiens 0.524
CHEMBL2163176 Lysine-specific demethylase 5C Homo sapiens 0.519
CHEMBL2592 Adenosine A2b receptor Rattus norvegicus 0.356

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
194.2 194.0804 -0.18 2 83.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.88 1.77 .57 .57 2 14 0.7

Structural Alerts

There are no structural alerts for CHEMBL279898

Compound Cross References

ChemSpider ChemSpider:SIQPXVQCUCHWDI-UHFFFAOYSA-N
PubChem SID: 104171214 SID: 11111643 SID: 144203783 SID: 50104067 SID: 855784 SID: 90341781
Wikipedia Enprofylline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279898



ACToR 41078-02-8
BindingDB 50001493
Brenda 88886
ChEBI 126237
DrugBank DB00824
DrugCentral 1015
eMolecules 593677
EPA CompTox Dashboard DTXSID9045186
FDA SRS DT7DT5E518
Human Metabolome Database HMDB0014962
IBM Patent System 5DE8EBC32347E8D7D5BEB5D9A13006D3
LINCS LSM-45973
MolPort MolPort-020-915-589
Nikkaji J16.542E
PharmGKB PA164749350
PubChem 1676
PubChem: Drugs of the Future 12012874
PubChem: Thomson Pharma 14772979 15219898
SureChEMBL SCHEMBL18029491 SCHEMBL156402
ZINC ZINC000000403567

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