General Information of Drug (ID: DR2192)
Drug Name
Dithiazoline
Synonyms dithiazoline
Indication Gonococcal infection [ICD11: 1A70] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 105.19 Topological Polar Surface Area 63
Heavy Atom Count 5 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
17990703
CAS Number
504-79-0
Formula
C2H3NS2
Canonical SMILES
C1C=NSS1
InChI
1S/C2H3NS2/c1-2-4-5-3-1/h1H,2H2
InChIKey
WPEVFLXBCFUSFF-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
L,D-carboxypeptidase A (ldcA) DME1200 Escherichia coli
J7R060_ECOLX
3.4.17.13
[1]
L,D-carboxypeptidase A (ldcA) DME1199 Neisseria gonorrhoeae
A0A5K1KMI8_NEIGO
3.4.17.13
[1]
References
1 Selective inhibition of Neisseria gonorrhoeae by a dithiazoline in mixed infections with Lactobacillus gasseri. Antimicrob Agents Chemother. 2018 Nov 26;62(12). pii: e00826-18.

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