Details of the Drug | DrugMAP

General Information of Drug (ID: DMK31M6)

Drug Name	Isothiocyanate derivative 1
Synonyms	PMID26560530-Compound-9
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			116.14
	Logarithm of the Partition Coefficient (xlogp)			0.7
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			3
Chemical Identifiers	Formula C3H4N2OS IUPAC Name 2-isothiocyanatoacetamide Canonical SMILES C(C(=O)N)N=C=S InChI InChI=1S/C3H4N2OS/c4-3(6)1-5-2-7/h1H2,(H2,4,6) InChIKey LXDZRHJIMQYSSD-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 10290770 TTD ID D0YP7A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tissue transglutaminase (TG2)	TT2F4OL	TGM2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Transglutaminase inhibitors: a patent review.Expert Opin Ther Pat. 2016;26(1):49-63.