Details of the Drug

General Information of Drug (ID: DM9T6MS)

Drug Name
Tecadenoson
Synonyms
CVT-510; 204512-90-3; UNII-GZ1X96601Z; CHEMBL392149; GZ1X96601Z; (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolane-3,4-diol; BDBM50224766; Tecadenoson [USAN:INN]; Tecadenoson (USAN/INN); AC1L4KMO; SCHEMBL246787; GTPL5592; CHEMBL356254; DTXSID80174415; BDBM50138530; DB04954; N6-[3-(R)-tetrahydrofuranyl]adenosine; HY-19661; Adenosine, N-(3R)-tetrahydro-3-furanyl-; LS-190860; Adenosine, N-(3R)-tetrahydro-3-furanyl)-; CS-0016174; D06019; CVT-510; N-(3-Tetrahydrofuranyl)-6-aminopurine riboside; Selenocompounds
Indication
Disease Entry ICD 11 Status REF
Atrial fibrillation BC81.3 Discontinued in Phase 3 [1]
Cardiac arrhythmias BC9Z Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 337.33
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C14H19N5O5
IUPAC Name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolane-3,4-diol
Canonical SMILES
C1COC[C@@H]1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
InChIKey
OESBDSFYJMDRJY-BAYCTPFLSA-N
Cross-matching ID
PubChem CID
158795
CAS Number
204512-90-3
DrugBank ID
DB04954
TTD ID
D00YSJ
VARIDT ID
DR00923
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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 Agonist [2]
Protein kinase C (PRKC) TTYVX59 NOUNIPROTAC Binder [3]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Equilibrative nucleoside transporter 1 (SLC29A1) DTXD1TQ S29A1_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Atrial fibrillation
ICD Disease Classification BC81.3
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Equilibrative nucleoside transporter 1 (SLC29A1) DTP ENT1 7.28E-01 1.90E-01 3.49E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5592).
2 CV Therapeutics. Company report from CV Therapeutics, Inc. CV Therapeutics. 2009.
3 Protein kinase C as a molecular target for cancer prevention by selenocompounds. Nutr Cancer. 2001;40(1):55-63.
4 Transport of A1 adenosine receptor agonist tecadenoson by human and mouse nucleoside transporters: evidence for blood-brain barrier transport by murine equilibrative nucleoside transporter 1 mENT1. Drug Metab Dispos. 2013 Apr;41(4):916-22.