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], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

131.13

Topological Polar Surface Area (xlogp)

-1.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 3 hours [3]

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	[2], [4]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Monocarboxylate transporter 12 (SLC16A12)	DTZOKFJ	MOT12_HUMAN	Substrate	[5]
Creatine transporter 1 (SLC6A8)	DTPKTHL	SC6A8_HUMAN	Substrate	[6]

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Molecular Interaction Atlas (MIA)

MIA Detail

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	The therapeutic role of creatine in Huntington's disease. Pharmacol Ther. 2005 Nov;108(2):193-207.
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	Creatine for Parkinson's disease. Cochrane Database Syst Rev. 2014 Jun 17;6:CD009646.
5	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.
6	Astrocytic -aminobutyric acid (GABA) transporters mediate guanidinoacetate transport in rat brain. 2018 Feb;113:1-7.