General Information of Drug (ID: DM4GO8H)

Drug Name
Guanidine
Synonyms
(NH2)2C=NH; 4-03-00-00148 (Beilstein Handbook Reference); AC1L1G4E; AC1Q50DT; AC1Q50DU; Aminoformamidine; Aminomethanamidine; Carbamamidine; Carbamidine; GAI; Gu; Guanidin; Guanidine, Hydrochloride; Guanidine, free base;BRN 0506044; H2N-C(=NH)-NH2; HSDB 7603; Imidourea; Iminourea; JU58VJ6Y3B; NCIOpen2_007946; UNII-JU58VJ6Y3B; ZRALSGWEFCBTJO-UHFFFAOYSA-N; guanidine
Indication
Disease Entry ICD 11 Status REF
LambertEaton myasthenic syndrome 8C62 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 59.072
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 1
ADMET Property
Absorption
The drug is rapidly absorbed and distributed []
Half-life
The concentration or amount of drug in body reduced by one-half in 7 - 8 hours [2]
Metabolism
The drug is not metabolised []
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 592.50598 micromolar/kg/day [3]
Chemical Identifiers
Formula
CH5N3
IUPAC Name
guanidine
Canonical SMILES
C(=N)(N)N
InChI
InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
InChIKey
ZRALSGWEFCBTJO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3520
ChEBI ID
CHEBI:42820
CAS Number
113-00-8
DrugBank ID
DB00536
VARIDT ID
DR01303

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic cation transporter 3 (SLC22A3) DT6201N S22A3_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Albumin (ALB) OTVMM513 ALBU_HUMAN Protein Interaction/Cellular Processes [5]
Solute carrier family 22 member 3 (SLC22A3) OTQYGVXX S22A3_HUMAN Regulation of Drug Effects [4]
Superoxide dismutase (SOD1) OT39TA1L SODC_HUMAN Protein Interaction/Cellular Processes [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
4 Structure, function, and regional distribution of the organic cation transporter OCT3 in the kidney. Am J Physiol Renal Physiol. 2000 Sep;279(3):F449-58.
5 Spatial relationship between the prodan site, Trp-214, and Cys-34 residues in human serum albumin and loss of structure through incremental unfolding. Biochemistry. 2002 Jun 11;41(23):7443-52. doi: 10.1021/bi025699v.
6 Ligand binding and aggregation of pathogenic SOD1. Nat Commun. 2013;4:1758. doi: 10.1038/ncomms2750.