Details of the Drug

General Information of Drug (ID: DMY2GXT)

Drug Name

2'-Me-tecadenoson

Synonyms

CHEMBL400190; 2'-Me-tecadenoson; 2''-Me-tecadenoson

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

351.36

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C15H21N5O5
IUPAC Name: (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolane-3,4-diol
Canonical SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N[C@@H]4CCOC4)CO)O)O
InChI: InChI=1S/C15H21N5O5/c1-15(23)11(22)9(4-21)25-14(15)20-7-18-10-12(16-6-17-13(10)20)19-8-2-3-24-5-8/h6-9,11,14,21-23H,2-5H2,1H3,(H,16,17,19)/t8-,9-,11-,14-,15-/m1/s1
InChIKey: BPEIIXZHZSYVFH-LVSZHXFLSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	5'-Carbamoyl derivatives of 2'-C-methyl-purine nucleosides as selective A1 adenosine receptor agonists: affinity, efficacy, and selectivity for A1 ... Bioorg Med Chem. 2008 Jan 1;16(1):336-53.