Details of the Drug

General Information of Drug (ID: DM9AFZ3)

Drug Name

CL-5343

Synonyms

5-Amino-1,3,4-thiadiazole-2-sulfonamide; 14949-00-9; Tio-urasin; CL 5343; UNII-F687N81LIZ; NSC 22979; 2-Amino-1,3,4-thiadiazole-5-sulfonamide; CHEMBL265674; F687N81LIZ; 1,3,4-Thiadiazole-2-sulfonamide, 5-amino-; 5-Amino-TDSNH2; PubChem15758; Acetazolamide Impurity D; AC1Q6UUX; 1,3,4-Thiadiazole-5-sulfonamide, 2-amino-; SCHEMBL282413; AC1L382D; CTK4C6227; BDBM10868; DTXSID10164324; MolPort-022-374-081; VGMVBPQOACUDRU-UHFFFAOYSA-N; NSC22979; ZINC16969869; NSC-22979; 1,3,4-thiadiazole-2-sulfonamide 15; aromatic/heteroaromatic; CL-5343; Carbonic anhydrase inhibitors, Universita degli Studi di Firenze; Sulfonamide CA inhibitors, Universita degli Studi di Firenze; Sulfonamide CA inhibitors, University of Florence; Carbonic anhydrase inhibitors (cancer/epilepsy/glaucoma/obesity); Carbonic anhydrase inhibitors (cancer/epilepsy/glaucoma/obesity), University of Florence/ULS; 5-amino-1,3,4-thiadiazole-2-sulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

180.21

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C2H4N4O2S2
IUPAC Name: 5-amino-1,3,4-thiadiazole-2-sulfonamide
Canonical SMILES: C1(=NN=C(S1)S(=O)(=O)N)N
InChI: InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
InChIKey: VGMVBPQOACUDRU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 84724
CAS Number: 14949-00-9
TTD ID: D0VD7H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[2]
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[3]
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[2]
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_HUMAN	Inhibitor	[2]
Carbonic anhydrase VI (CA-VI)	TTCFSPE	CAH6_HUMAN	Inhibitor	[2]
Carbonic anhydrase XII (CA-XII)	TTSYM0R	CAH12_HUMAN	Inhibitor	[2]
Carbonic anhydrase XIV (CA-XIV)	TTEYTKG	CAH14_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase IV (CA-IV)	DTT	CA4	1.58E-77	-2.02	-1.77
Carbonic anhydrase XII (CA-XII)	DTT	CA12	3.29E-21	1.27	1.02
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase XIV (CA-XIV)	DTT	CA14	5.79E-07	-0.09	-0.16
Carbonic anhydrase VI (CA-VI)	DTT	CA6	3.64E-10	-0.17	-0.37
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33
Carbonic anhydrase IX (CA-IX)	DTT	CA9	1.12E-10	-0.03	-0.09

Molecular Expression Atlas (MEA)

MEA Detail

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. (Target id: 2597).
2	Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a l... Bioorg Med Chem Lett. 2010 Aug 1;20(15):4376-81.
3	Synthesis, characterization and antiglaucoma activity of some novel pyrazole derivatives of 5-amino-1,3,4-thiadiazole-2-sulfonamide. Eur J Med Chem. 2010 Nov;45(11):4769-73.