Details of the Drug | DrugMAP

General Information of Drug (ID: DMVJYKG)

Drug Name	Dithiazoline
Synonyms	dithiazoline
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			105.19
	Logarithm of the Partition Coefficient (xlogp)			0.5
	Rotatable Bond Count (rotbonds)			0
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			3
Chemical Identifiers	Formula C2H3NS2 IUPAC Name 5H-dithiazole Canonical SMILES C1C=NSS1 InChI WPEVFLXBCFUSFF-UHFFFAOYSA-N InChIKey 1S/C2H3NS2/c1-2-4-5-3-1/h1H,2H2
Cross-matching ID	PubChem CID 17990703 CAS Number 504-79-0 INTEDE ID DR2192

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
L,D-carboxypeptidase A (ldcA)	DE19C8A	J7R060_ECOLX	Substrate	[1]
L,D-carboxypeptidase A (ldcA)	DE0KTEM	A0A5K1KMI8_NEIGO	Substrate	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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.