Details of the Drug

General Information of Drug (ID: DMJ2FTU)

Drug Name
TGBA01AD
Synonyms
ARABINOFURANOSYLURACIL; Spongouridin; 1-pentofuranosylpyrimidine-2,4(1H,3H)-dione; Uracil arabinoside; 3083-77-0; 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione; Uridine-5-d; AK-47314; AC1L1AWE; ACMC-209m8u; 1-.beta.-D-Ribofuranosyl-2,4(1H,3H)-pyrimidinedione; NCIOpen2_003486; Oprea1_327785; MLS006011814; CHEMBL68846; SCHEMBL2056758; ARONIS003790; AC1Q69D3; KS-00003WPG; CTK8J4890
Indication
Disease Entry ICD 11 Status REF
Mood disorder 6A60-6E23 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 244.2
Logarithm of the Partition Coefficient (xlogp) -2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C9H12N2O6
IUPAC Name
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Canonical SMILES
C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
InChI
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)
InChIKey
DRTQHJPVMGBUCF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1177
ChEBI ID
CHEMBL143353
CAS Number
40436-51-9
TTD ID
D04FVD
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Modulator [2]
5-HT 1D receptor (HTR1D) TT6MSOK 5HT1D_HUMAN Modulator [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Mood disorder
ICD Disease Classification 6A60-6E23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.
2 Company report (Fabrekramer)