Details of the Drug

General Information of Drug (ID: DMK7D8N)

Drug Name

3'-bromopropiophenonethiosemicarbazone

Synonyms

CHEMBL313679; (1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazone; 3'-bromopropiophenonethiosemicarbazone; SCHEMBL6338417; BDBM50114613; 3'-Bromopropiophenone 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)

286.19

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C10H12BrN3S
IUPAC Name: [(E)-1-(3-bromophenyl)propylideneamino]thiourea
Canonical SMILES: CC/C(=N\\NC(=S)N)/C1=CC(=CC=C1)Br
InChI: InChI=1S/C10H12BrN3S/c1-2-9(13-14-10(12)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H3,12,14,15)/b13-9+
InChIKey: WBIKZQWGHHXZTG-UKTHLTGXSA-N

Cross-matching ID

PubChem CID: 10356636
TTD ID: D0S2IS

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	Studies toward the structural optimization of novel thiazolylhydrazone-based potent antitrypanosomal agents. Bioorg Med Chem. 2010 Nov 15;18(22):7826-35.