Details of the Drug

General Information of Drug (ID: DM8SCON)

Drug Name

AZD5904

Synonyms

AZD5904; UNII-62A9CG81VN; 62A9CG81VN; AZD-5904; 3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one; 3-(((2R)-Oxolan-2-yl)methyl)-2-sulfanylidene-7H-purin-6-one; 2-Thioxanthine, TX4; SCHEMBL2288062; GTPL7728; TX-4; BDBM92469; AZD 5904; 618913-30-7; HY-111341; CS-0035112; 6H-Purin-6-one, 1,2,3,9-tetrahydro-3-(((2R)-tetrahydro-2-furanyl)methyl)-2-thioxo-; (R)-3-((Tetrahydrofuran-2-yl)methyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one; 6H-Purin-6-one, 1,2,3,7-tetrahydro-3-(((2R)-tetrahydro-2-furanyl)methyl)-2-thioxo-

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 1	[1]
Multiple sclerosis	8A40	Discontinued in Phase 1	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

252.3

Logarithm of the Partition Coefficient (xlogp)

0.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H12N4O2S
IUPAC Name: 3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-7H-purin-6-one
Canonical SMILES: C1C[C@@H](OC1)CN2C3=C(C(=O)NC2=S)NC=N3
InChI: InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
InChIKey: RSPDBEVKURKEII-ZCFIWIBFSA-N

Cross-matching ID

PubChem CID: 10264211
CAS Number: 618913-30-7
TTD ID: D0Y3LJ

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
Myeloperoxidase (MPO)	TTVCZPI	PERM_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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: 7728).
2	Clinical pipeline report, company report or official report of AstraZeneca (2009).