General Information of the Compound
Compound ID
CP0069487
Compound Name
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
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Synonyms
2,6-Bis(diethanolamine)-4,8-dipiperidinopyrimido[5,4-d]pyrimidine
2,6-Bis(diethanolamino)-4,8-dipiperidinopyrimido(5,4-d)pyrimidine
2,6-Bis(diethanolamino)-4,8-dipiperidinopyrimido[5,4-d]pyrimidine
Agilease
Anginal
Antistenocardin
Apo-Dipyridamole
Apo-Dipyridamole Fc
Apo-Dipyridamole Sc
Apotex Brand of Dipyridamole
Apricor
Ashbourne Brand of Dipyridamole
Belmac Brand of Dipyridamole
Berlin Chemie Brand of Dipyridamole
Berlin-Chemie Brand of Dipyridamole
Boehringer Ingelheim Brand of Dipyridamole
Cardioflux
Cardoxil
Cardoxin
Cerebrovase
Chilcolan
Cleridium
Cleridium 150
Coribon
Coridil
Coronarine
Corosan
Coroxin
Curantil
Curantyl
D 9766
Dipiridamol
Dipiridamol [INN-Spanish]
Dipyramidole
Dipyridamine
Dipyridamol
Dipyridamole
Dipyridamole (JP15/USP/INN)
Dipyridamole [USAN:INN:BAN:JAN]
Dipyridamolum
Dipyridamolum [INN-Latin]
Dipyridan
Dipyudamine
Dypyridamol
Gulliostin
IPRAD Brand of Dipyridamole
Iv Persantine
Justpertin
Kurantil
Miosen
Natyl
Novo-Dipiradol
Novopharm Brand of Dipyridamole
Peridamol
Permiltin
Permole, Persantine, Dipyridan, Dipyridamole
Persantin
Persantine
Persantine (TN)
Piroan
Prandiol
Prandiol 75
Protangix
RA-8
Stenocardil
Stenocardiol
Stimolcardio
Usaf Ge-12
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Structure
Formula
C24H40N8O4
Molecular Weight
504.636
Canonical SMILES
OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
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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
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InChIKey
IZEKFCXSFNUWAM-UHFFFAOYSA-N
CAS
58-32-2
Physicochemical Property
logP
-0.0176
Rotatable Bonds
12
Heavy Atom Count
36
Polar Areas
145.44
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
12
Complexity
36

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3108
SID: 81044336
ChEMBL ID
CHEMBL932
DrugBank ID
DB00975
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8300 nM
   TI
   LI
   LO
   TS
Protein ID: PT06399, ATP-binding cassette sub-family C member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  3
1
IC50 = 22700 nM
   TI
   LI
   LO
   TS
2
IC50 = 23700 nM
   TI
   LI
   LO
   TS
3
IC50 = 34300 nM
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04241, Equilibrative nucleoside transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000002 K-562 Homo sapiens (Human)  3
1
IC50 = 144.8 nM
   TI
   LI
   LO
   TS
2
Ki = 8.18 nM
   TI
   LI
   LO
   TS
3
Ki = 8.79 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
IC50 = 26000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
IC50 = 74000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
IC50 = 81000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04591, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
IC50 = 2600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Dipyridamole )
Drug Name Dipyridamole
Company FISCHER and ROCH
Indication
Hypertension
Approved
Target(s)
Phosphodiesterase 5A (PDE5A)
Modulator