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]
ATC Code
R02AA01: AMBAZONE
R02AA: Antiseptics
R02A: THROAT PREPARATIONS
R02: THROAT PREPARATIONS
R: RESPIRATORY SYSTEM
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
PubChem CID
1549158
ChEBI ID
CHEBI:134962
CAS Number
539-21-9
UNII
BYK4592A3Q
DrugBank ID
DB13697
TTD ID
D02CWZ

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]
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.