Details of the Drug

General Information of Drug (ID: DMKD2BQ)

Drug Name
Creatine ALS-08
Synonyms
Creatine; ALS-02; ALS-05; ALS-08; HD-02; PD-02; PD-04; PD-06; Creatine (ALS), Avicena; Creatine (amyotrophic lateral sclerosis), Avicena; PD-01, Avicena; AL-02 (ALS), Avicena; AL-08 (ALS), Avicena; Creatine (Huntington's disease), Avicena; Creatine (Parkinson's disease), Avicena
Indication
Disease Entry ICD 11 Status REF
Motor neurone disease 8B60 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 131.13
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 3 hours [2]
Chemical Identifiers
Formula
C4H9N3O2
IUPAC Name
2-[carbamimidoyl(methyl)amino]acetic acid
Canonical SMILES
CN(CC(=O)O)C(=N)N
InChI
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
InChIKey
CVSVTCORWBXHQV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
586
ChEBI ID
CHEBI:16919
CAS Number
57-00-1
DrugBank ID
DB00148
TTD ID
D01WZG
VARIDT ID
DR00034

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mitochondrial function (MF) TTZ1DV7 NOUNIPROTAC Modulator [3]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Monocarboxylate transporter 12 (SLC16A12) DTZOKFJ MOT12_HUMAN Substrate [4]
Creatine transporter 1 (SLC6A8) DTPKTHL SC6A8_HUMAN Substrate [5]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Amyloid-beta precursor protein (APP) OTKFD7R4 A4_HUMAN Protein Interaction/Cellular Processes [6]
Glycine amidinotransferase, mitochondrial (GATM) OTIJ4Z11 GATM_HUMAN Biotransformations [7]
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A) OTHCDQ22 PRGC1_HUMAN Gene/Protein Processing [8]
Protein DEK (DEK) OTYCJ5H6 DEK_HUMAN Biotransformations [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4496).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 The therapeutic role of creatine in Huntington's disease. Pharmacol Ther. 2005 Nov;108(2):193-207.
4 Mutation in the Monocarboxylate Transporter 12 Gene Affects Guanidinoacetate Excretion but Does Not Cause Glucosuria. J Am Soc Nephrol. 2016 May;27(5):1426-36.
5 Astrocytic -aminobutyric acid (GABA) transporters mediate guanidinoacetate transport in rat brain. 2018 Feb;113:1-7.
6 High-energy compounds promote physiological processing of Alzheimer's amyloid- precursor protein and boost cell survival in culture. J Neurochem. 2012 Nov;123(4):525-31. doi: 10.1111/j.1471-4159.2012.07923.x. Epub 2012 Sep 21.
7 Myocardial expression of the arginine:glycine amidinotransferase gene is elevated in heart failure and normalized after recovery: potential implications for local creatine synthesis. Circulation. 2006 Jul 4;114(1 Suppl):I16-20. doi: 10.1161/CIRCULATIONAHA.105.000448.
8 A cardiac-specific robotized cellular assay identified families of human ligands as inducers of PGC-1 expression and mitochondrial biogenesis. PLoS One. 2012;7(10):e46753. doi: 10.1371/journal.pone.0046753. Epub 2012 Oct 3.
9 Overexpression of the human DEK oncogene reprograms cellular metabolism and promotes glycolysis. PLoS One. 2017 May 30;12(5):e0177952. doi: 10.1371/journal.pone.0177952. eCollection 2017.