Details of the Drug

General Information of Drug (ID: DMX82DO)

Drug Name
Buformin
Synonyms
Buformin; 1-Butylbiguanide; Buformine; Butyldiguanide; Butylbiguanide; Butformin; Butylbiguanidum; Glybigid; 1-Butyldiguanide; Glybigidum; N-Butylbiguanide; Buformina; Buforminum; Buformine [INN-French]; Buforminum [INN-Latin]; Buformina [INN-Spanish]; Silubin; Adebit; BIGUANIDE, 1-BUTYL-; Buformin [USAN:INN]; W 37; Buformin HCl; Imidodicarbonimidic diamide, N-butyl-; Sindiatil; Panformin; Diabrin; Biforon; Andere; UNII-W2115E9C7B; Buformine HCl; N-butylimidodicarbonimidic diamide; DBV hydrochloride; H 224
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 157.22
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 1
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 6.58 mL/min/kg [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 4.62 hours [1]
Unbound Fraction
The unbound fraction of drug in plasma is 0.9% [1]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.84 L/kg [1]
Chemical Identifiers
Formula
C6H15N5
IUPAC Name
2-butyl-1-(diaminomethylidene)guanidine
Canonical SMILES
CCCCN=C(N)N=C(N)N
InChI
InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKey
XSEUMFJMFFMCIU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2468
ChEBI ID
CHEBI:3209
CAS Number
692-13-7
DrugBank ID
DB04830
VARIDT ID
DR01669

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic cation transporter 1 (SLC22A1) DTT79CX S22A1_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
2 Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.