CREATININE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: AYI8EX34EU

Structure
InChI Key DDRJAANPRJIHGJ-UHFFFAOYSA-N
Smile CN1CC(=O)N=C1N
InChI
InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N3O
Molecular Weight 113.12
AlogP -1.23
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 58.69
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 8.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 13

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 60-27-5
ChEBI 16737
ChEMBL CHEMBL65567
DrugBank DB11846
EPA CompTox DTXSID8045987
FDA SRS AYI8EX34EU
Human Metabolome Database HMDB0000562
KEGG C00791
PubChem 588
SureChEMBL SCHEMBL16295
ZINC ZINC000000967189
CONTENTS