Details of the Drug

General Information of Drug (ID: DMTZ71K)

Drug Name

1-(bis(3-bromophenyl)methylene)thiosemicarbazide

Synonyms

CHEMBL384296; 1-(bis(3-bromophenyl)methylene)thiosemicarbazide; SCHEMBL2675409; DLNPHAFNMNLYRY-UHFFFAOYSA-N; BDBM50189279; Bis(3-bromophenyl) ketone thiosemicarbazone

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)

413.1

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H11Br2N3S
IUPAC Name: [bis(3-bromophenyl)methylideneamino]thiourea
Canonical SMILES: C1=CC(=CC(=C1)Br)C(=NNC(=S)N)C2=CC(=CC=C2)Br
InChI: InChI=1S/C14H11Br2N3S/c15-11-5-1-3-9(7-11)13(18-19-14(17)20)10-4-2-6-12(16)8-10/h1-8H,(H3,17,19,20)
InChIKey: DLNPHAFNMNLYRY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16061497
TTD ID: D07PZF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Trypanosoma Cruzipain (Trypano CYSP)	TTEAID7	CYSP_TRYCR	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design, synthesis, and biochemical evaluation of novel cruzain inhibitors with potential application in the treatment of Chagas' disease. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4405-9.