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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL932
CHEMBL932
Compound Name DIPYRIDAMOLE
ChEMBL Synonyms MODAPLATE | IV PERSANTINE | CEREBROVASE 25 | ATTIA | CEREBROVASE 100 | PYRIDANTIN | PERSANTINE | PERSANTIN RET | OFCRAM PR | DIPYRIDAMOLE | PERSANTIN | VASYROL | RA-8
Max Phase 4 (Approved)
Trade Names CEREBROVASE 100 | CEREBROVASE 25 | IV PERSANTINE | MODAPLATE | PERSANTINE | OFCRAM PR | PERSANTIN RET | DIPYRIDAMOLE | PERSANTIN | VASYROL | ATTIA | PYRIDANTIN
Molecular Formula C24H40N8O4

Additional synonyms for CHEMBL932 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO
Standard InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27- ...
Download InChI
Standard InChI Key IZEKFCXSFNUWAM-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Drugs for Neglected Diseases Initiative (DNDi)
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL932

Molecule Features

CHEMBL932 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
3',5'-cyclic phosphodiesterase inhibitor 3',5'-cyclic phosphodiesterase DailyMed PubMed
Equilibrative nucleoside transporter 1 inhibitor Equilibrative nucleoside transporter 1 DailyMed UniProt

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HIV InfectionsD015658EFO:0000764HIV infection1ClinicalTrials
HypertensionD006973EFO:0000537hypertension1ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease2ClinicalTrials
Ovarian NeoplasmsD010051EFO:0001075ovarian carcinoma2ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
Carotid StenosisD016893EFO:0002615internal carotid artery stenosis2ClinicalTrials
Myocardial IschemiaD017202EFO:1001375Myocardial Ischemia3ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis2ClinicalTrials
ThrombosisD013927HP:0004419Recurrent thrombophlebitis4ATC
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia2ClinicalTrials
Coronary DiseaseD003327EFO:0001645coronary heart disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov DIPYRIDAMOLE
The Cochrane Collaboration DIPYRIDAMOLE

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 CHEMBL932. 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
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL3530 Dual specificity mitogen-activated protein kinase kinase 7 Homo sapiens 1.000
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.516
CHEMBL2411 Serotonin 3a (5-HT3a) receptor Rattus norvegicus 0.319
CHEMBL3863 Protein kinase C mu Homo sapiens 0.298
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 0.232



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL3530 Dual specificity mitogen-activated protein kinase kinase 7 Homo sapiens 1.000
CHEMBL1075111 Bombesin receptor subtype-3 Rattus norvegicus 0.949
CHEMBL2179 Beta-glucocerebrosidase Homo sapiens 0.863
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 0.483
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.480
CHEMBL2411 Serotonin 3a (5-HT3a) receptor Rattus norvegicus 0.407
CHEMBL3863 Protein kinase C mu Homo sapiens 0.261

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
504.6 504.3173 -0.02 12 145.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 4 2 12 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.54 6.47 3.35 3.33 2 36 0.31

Structural Alerts

There are 1 structural alerts for CHEMBL932. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B01 - ANTITHROMBOTIC AGENTS
B01A - ANTITHROMBOTIC AGENTS
B01AC - Platelet aggregation inhibitors excl. heparin
B01AC07 - dipyridamole

ChemSpider ChemSpider:IZEKFCXSFNUWAM-UHFFFAOYSA-N
DailyMed dipyridamole
PubChem SID: 104171148 SID: 11111116 SID: 11111117 SID: 11113358 SID: 124879978 SID: 124879980 SID: 124879984 SID: 144203684 SID: 170464694 SID: 26747068 SID: 26751580 SID: 26751581 SID: 489152 SID: 50104213 SID: 50104215 SID: 56423153 SID: 85231021 SID: 855977 SID: 90340971
Wikipedia Dipyridamole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL932



ACToR 58-32-2
BindingDB 23620
Brenda 69114 1192 70635 154381 138816 153397
ChEBI 4653
ChemicalBook CB6731869
DrugBank DB00975
DrugCentral 924
eMolecules 27519521 494752
EPA CompTox Dashboard DTXSID6040668
FDA SRS 64ALC7F90C
Guide to Pharmacology 4807
Human Metabolome Database HMDB0015110
IBM Patent System 53EDE4590DC74E3DB362F6A84A091238
LINCS LSM-3927
Mcule MCULE-3112669573
MolPort MolPort-001-792-504
NIH Clinical Collection SAM002264609
Nikkaji J8.585E
NMRShiftDB 20208396
PharmGKB PA449367
PubChem 3108
PubChem: Drugs of the Future 81044336
PubChem: Thomson Pharma 14811101
Selleck Dipyridamole(Permole,-Persantine)
SureChEMBL SCHEMBL16119
ZINC ZINC000000643046

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