Details of the Drug

General Information of Drug (ID: DMCZIHT)

Drug Name

Asasantin

Synonyms

Aggrenox; Aspirin mixture with Dipyridamole; 87653-67-6; Asasantin Retard; Aspirin / Dipyridamole; aspirin, dipyridamole drug combination; TX-3301; TX 3301; C24H40N8O4.C9H8O4; Aspirin/extended-release dipyridamole; AC1L3AE0; SCHEMBL456521; DTXSID40236543; LS-178622; Benzoic acid, 2-(acetyloxy)-, mixt. with 2,2',2'',2'''-((4,8-di-1-piperidinylpyrimido(5,4-d)pyrimidine-2,6-diyl)dinitrilo)tetrakis(ethanol)

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

684.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

15

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

16

Chemical Identifiers

Formula: C33H48N8O8
IUPAC Name: 2-acetyloxybenzoic acid;2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)O.C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO
InChI: InChI=1S/C24H40N8O4.C9H8O4/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;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h33-36H,1-18H2;2-5H,1H3,(H,11,12)
InChIKey: NOHUXXDTQJPXSB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 137329
CAS Number: 87653-67-6
TTD ID: D0F3IP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase (COX)	TTK0943	PGH1_HUMAN ; PGH2_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
CD40 ligand (CD40LG)	OT75Z6A6	CD40L_HUMAN	Gene/Protein Processing	[2]
CD63 antigen (CD63)	OT2UGZA9	CD63_HUMAN	Gene/Protein Processing	[2]
Integrin alpha-IIb (ITGA2B)	OT4Y17PY	ITA2B_HUMAN	Gene/Protein Processing	[2]
P-selectin (SELP)	OTWR90PK	LYAM3_HUMAN	Gene/Protein Processing	[2]
Platelet endothelial cell adhesion molecule (PECAM1)	OTXOM4D9	PECA1_HUMAN	Gene/Protein Processing	[2]
Platelet glycoprotein 4 (CD36)	OT5CZWKY	CD36_HUMAN	Gene/Protein Processing	[2]
Proteinase-activated receptor 1 (F2R)	OT4WVWBO	PAR1_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Emerging drugs in peripheral arterial disease. Expert Opin Emerg Drugs. 2006 Mar;11(1):75-90.
2	Magnitude and time course of platelet inhibition with Aggrenox and Aspirin in patients after ischemic stroke: the AGgrenox versus Aspirin Therapy Evaluation (AGATE) trial. Eur J Pharmacol. 2004 Sep 24;499(3):315-24. doi: 10.1016/j.ejphar.2004.07.114.