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]
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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
CAS Number: 45654-48-6
DrugBank ID: DB03162
TTD ID: D0T3PV

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.