dipyridamole   Click here for help

GtoPdb Ligand ID: 4807

Synonyms: Persantine®
Approved drug
dipyridamole is an approved drug (FDA (1961))
Compound class: Synthetic organic
Comment: Dipyridamole is a phosphodiesterase (PDE) inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 145.44
Molecular weight 504.32
XLogP 1.76
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO
Isomeric SMILES OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO
InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
InChI Key IZEKFCXSFNUWAM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1961))
IUPAC Name Click here for help
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
International Nonproprietary Names Click here for help
INN number INN
1545 dipyridamole
Synonyms Click here for help
Persantine®
Database Links Click here for help
CAS Registry No. 58-32-2 (source: Scifinder)
ChEBI CHEBI:4653
ChEMBL Ligand CHEMBL932
DrugBank Ligand DB00975
DrugCentral Ligand 924
GtoPdb PubChem SID 178101509
PubChem CID 3108
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Wikipedia Dipyridamole

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Tocris
Dipyridamole
Cat. No. 0691