Details of the Drug

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]
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Affected Organisms

Humans and other mammals

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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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
UNII: JU58VJ6Y3B
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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.