Details of the Drug

General Information of Drug (ID: DMAVC9T)

Drug Name

AMBAZONE

Synonyms

Ambazone < Rec INNM; P-Benzoquinone amidinohydrazone thiosemicarbazone monohydrate; 1,4-Benzoquinoneguanylhydrazone thiosemicarbazone monohydrate

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

237.29

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H11N7S
IUPAC Name: [4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea
Canonical SMILES: C1=CC(=CC=C1NN=C(N)N)N=NC(=S)N
InChI: InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12H,(H2,11,16)(H4,9,10,14)
InChIKey: ANZIOUQAFBXNHU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Binder	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Ambazone as a membrane active antitumor drug. Biophys Chem. 1990 Apr;35(2-3):287-300.