Details of the Drug

General Information of Drug (ID: DME29PX)

Drug Name
4-Hydroxy-1,2,5-Thiadiazole-3-Carboxylic Acid
Synonyms
4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID; LDHA Inhibitor, 1; 45654-48-6; GBD; AC1L9M6Z; C3H2N2O3S; 1,2,5-Thiadiazole, TDA1; SCHEMBL2573610; CHEMBL1232973; BDBM23251; MolPort-006-168-875; ZINC6523896; AKOS006380523; DB03162; 4-oxo-1,2,5-thiadiazole-3-carboxylic acid; Z2467454497; 4-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 146.13
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C3H2N2O3S
IUPAC Name
4-oxo-1,2,5-thiadiazole-3-carboxylic acid
Canonical SMILES
C1(=NSNC1=O)C(=O)O
InChI
InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
InChIKey
FVZITYNLUYJDOE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
448652
ChEBI ID
CHEMBL1232973
CAS Number
45654-48-6
DrugBank ID
DB03162
TTD ID
D0T3PV
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
L-lactate dehydrogenase (LDH) TTAZHU0 LDHA_HUMAN ; LDHB_HUMAN ; LDHC_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.